Geometry & MOs

Info

ID:	82146
PubChem CID:	49855686
Reduced:	SN5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	381.15896
ΔH_f, kcal/mol:	135.86
Dipole, Da:	5.61
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-amino-2-(4-methoxyphenyl)-5-methylimidazol-2-yl]phenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CS1)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4

DOS

IR

Vibrations