Geometry & MOs

Info

ID:	351889
PubChem CID:	127282807
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-121.42
Dipole, Da:	6.63
IP(EA), eV:	-8.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations