Geometry & MOs

Info

ID:	348958
PubChem CID:	127274684
Reduced:	O2N3C24H37 (1)
Stoich.:	A2B3C24D37 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	6.29
IP(EA), eV:	-8.79(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations