Geometry & MOs

Info

ID:	351973
PubChem CID:	127282891
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	7.15
IP(EA), eV:	-8.96(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3)C

DOS

IR

Vibrations