Geometry & MOs

Info

ID:	371198
PubChem CID:	127344263
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	2.32
IP(EA), eV:	-8.62(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations