Geometry & MOs

Info

ID:	345491
PubChem CID:	127269791
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-181.67
Dipole, Da:	5.25
IP(EA), eV:	-9.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CCC(=O)N2CCC(=O)CC2

DOS

IR

Vibrations