Geometry & MOs

Info

ID:	31977
PubChem CID:	3726648
Reduced:	PSO3C5H7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	1.12
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1)CP(=O)(O)O

DOS

IR

Vibrations