Geometry & MOs

Info

ID:

441248

PubChem CID:

135233813

Reduced:

N2H18C23 (2)

Stoich.:

A2B18C23 (2)

Weight, g/mol:

694.309647

ΔHf, kcal/mol:

283.5

Dipole, Da:

3.29

IP(EA), eV:

 -7.63(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[3-(1,8a-dihydronaphthalen-2-yl)-3,4-dihydroquinoxalin-2-yl]-12-(3,4-dihydronaphthalen-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,14,17,19,21,23-decaene

Drug info:

PubChemData

Smile

C1C=CC=C2C1C3=C(N2C4=CC=C5C=CC=CC5C4)C=C6C(=C3)C7=C(N6C8=C(NC9C=CC=CC9N8)C1=CC=CC=C1)C=CC1=CC=CC=C17

DOS

IR

Vibrations