Geometry & MOs

Info

ID:	419074
PubChem CID:	135107436
Reduced:	OSN3C19H29 (1)
Stoich.:	ABC3D19E29 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	2.59
IP(EA), eV:	-8.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2CCN(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations