Geometry & MOs

Info

ID:	158339
PubChem CID:	56463440
Reduced:	OSN3C18H31 (1)
Stoich.:	ABC3D18E31 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	4.11
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylcarbamoylamino)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)C2=C(N=C(S2)CC(C)C)C

DOS

IR

Vibrations