Geometry & MOs

Info

ID:	354469
PubChem CID:	127287018
Reduced:	ON6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	22.16
Dipole, Da:	5.4
IP(EA), eV:	-8.96(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(piperidin-1-ylmethyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC(=O)N2CCN(CC2)C3CC3

DOS

IR

Vibrations