Geometry & MOs

Info

ID:	353624
PubChem CID:	127285201
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	3.0
IP(EA), eV:	-9.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations