Geometry & MOs

Info

ID:	74084
PubChem CID:	48421439
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	3.81
IP(EA), eV:	-8.62(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=C(C=CC=N3)C)C

DOS

IR

Vibrations