Geometry & MOs

Info

ID:	139297
PubChem CID:	52505649
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	360.23995
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	5.78
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]-4-oxobutyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H]1C[C@@H](N(C2=CC=CC=C12)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations