Geometry & MOs

Info

ID:	363451
PubChem CID:	127311254
Reduced:	N3O3C19H33 (1)
Stoich.:	A3B3C19D33 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-162.09
Dipole, Da:	2.4
IP(EA), eV:	-8.95(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)C2CCCCC2C(=O)N3CCCC3

DOS

IR

Vibrations