Geometry & MOs

Info

ID:	359450
PubChem CID:	127298724
Reduced:	O3N4C21H38 (1)
Stoich.:	A3B4C21D38 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-178.17
Dipole, Da:	2.4
IP(EA), eV:	-9.14(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclopentylacetyl)amino]-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCC(CC2)NC(=O)CC3CCCC3)C

DOS

IR

Vibrations