Geometry & MOs

Info

ID:	158496
PubChem CID:	56464086
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	401.279075
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	3.91
IP(EA), eV:	-8.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopentylmethylcarbamoylamino)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations