Geometry & MOs

Info

ID:	377982
PubChem CID:	134224049
Reduced:	BrClNO3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	477.184112
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	3.76
IP(EA), eV:	-9.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations