Geometry & MOs

Info

ID:	325445
PubChem CID:	126683310
Reduced:	N2O2H32C35 (1)
Stoich.:	A2B2C32D35 (1)
Weight, g/mol:	542.256943
ΔH_f, kcal/mol:	50.73
Dipole, Da:	3.54
IP(EA), eV:	-8.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC=C(C=C2C)C3=C(C=C(C=N3)C4=CC(=C(C=C4)OC)OC)/C=C/C5=CC=CC=C5)C

DOS

IR

Vibrations