Geometry & MOs

Info

ID:	377934
PubChem CID:	134224000
Reduced:	BrNH14C18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	477.184112
ΔH_f, kcal/mol:	74.16
Dipole, Da:	1.82
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=CC(=N2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations