Geometry & MOs

Info

ID:	157009
PubChem CID:	56405086
Reduced:	ClSO2N4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)/C=C/C3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations