Geometry & MOs

Info

ID:	82147
PubChem CID:	49855688
Reduced:	ON5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	304.132411
ΔH_f, kcal/mol:	121.03
Dipole, Da:	8.14
IP(EA), eV:	-8.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-2-(4-methoxyphenyl)-5-methylimidazol-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC=C(C=C2)OC)C3=CC=CC(=C3)C4=CN=CC(=C4)C#N

DOS

IR

Vibrations