Geometry & MOs

Info

ID:	133978
PubChem CID:	51621134
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	290.198085
ΔH_f, kcal/mol:	35.43
Dipole, Da:	7.53
IP(EA), eV:	-9.18(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=NC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations