Geometry & MOs

Info

ID:	377830
PubChem CID:	134223895
Reduced:	BrNOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	478.179361
ΔH_f, kcal/mol:	36.94
Dipole, Da:	4.47
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2C3=NC(=CC=C3)Br

DOS

IR

Vibrations