Geometry & MOs

Info

ID:	209519
PubChem CID:	80682679
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	197.12766
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	8.6
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations