Geometry & MOs

Info

ID:	391182
PubChem CID:	135003399
Reduced:	NO3H20C23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-11.46
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136497
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=[N+](C(=C(O2)O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations