Geometry & MOs

Info

ID:	351997
PubChem CID:	127282915
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	0.95
IP(EA), eV:	-8.99(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(5-oxo-1-phenylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations