Geometry & MOs

Info

ID:	325444
PubChem CID:	126683309
Reduced:	BrN2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	512.246378
ΔH_f, kcal/mol:	79.7
Dipole, Da:	6.05
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)-5-methylpyridin-3-yl]-3-[(E)-2-phenylethenyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=CN=C(C(=C2)C)Br)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations