Geometry & MOs

Info

ID:

441246

PubChem CID:

135233780

Reduced:

NO2C23H27 (1)

Stoich.:

AB2C23D27 (1)

Weight, g/mol:

736.356597

ΔHf, kcal/mol:

-48.53

Dipole, Da:

2.66

IP(EA), eV:

 -9.34(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[3-[4-(1,8a-dihydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-1-methyl-2H-quinoxalin-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,13,15(23),17,19,21-nonaene

Drug info:

PubChemData

Smile

CC1(CCOC/C=C(\C1)/C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)C

DOS

IR

Vibrations