Geometry & MOs

Info

ID:	362345
PubChem CID:	127307411
Reduced:	FO3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-156.38
Dipole, Da:	1.81
IP(EA), eV:	-8.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCCC2=CC(=CC3=C2OCOC3)F)C

DOS

IR

Vibrations