Geometry & MOs

Info

ID:	365291
PubChem CID:	127317653
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	331.212058
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	4.39
IP(EA), eV:	-9.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2CCC2)N3C=NC=N3

DOS

IR

Vibrations