Geometry & MOs

Info

ID:	83151
PubChem CID:	49857212
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	494.268176
ΔH_f, kcal/mol:	32.94
Dipole, Da:	4.63
IP(EA), eV:	-8.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[4-amino-2-(4-methoxy-3,5-dimethylphenyl)-5-methylimidazol-2-yl]phenyl]phenyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=C(C=C4)OC

DOS

IR

Vibrations