Geometry & MOs

Info

ID:	361453
PubChem CID:	127303541
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-164.71
Dipole, Da:	1.9
IP(EA), eV:	-8.67(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC1CCCN1C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations