Geometry & MOs

Info

ID:	344492
PubChem CID:	127268076
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	42.26
Dipole, Da:	5.27
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyanophenyl)piperazin-1-yl]-N-cyclopentyl-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(C2CC2)C(=O)CN3CCN(CC3)C4=CC=CC=C4C#N

DOS

IR

Vibrations