Geometry & MOs

Info

ID:	347061
PubChem CID:	127271565
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-131.18
Dipole, Da:	3.68
IP(EA), eV:	-9.27(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-N-[oxolan-2-yl(phenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)NC(C3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations