Geometry & MOs

Info

ID:

324546

PubChem CID:

126677877

Reduced:

N5C13H15 (1)

Stoich.:

A5B13C15 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

84.07

Dipole, Da:

2.84

IP(EA), eV:

 -8.28(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC(=NC3=C2NNN3)N

DOS

IR

Vibrations