Geometry & MOs

Info

ID:	133979
PubChem CID:	51621135
Reduced:	ON5C15H24 (1)
Stoich.:	AB5C15D24 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	42.34
Dipole, Da:	16.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010083
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)CCN1CC[NH+](CC1)C)/C2=CC=CC=N2

DOS

IR

Vibrations