Geometry & MOs

Info

ID:	261682
PubChem CID:	103245210
Reduced:	N2O3C9H20 (1)
Stoich.:	A2B3C9D20 (1)
Weight, g/mol:	242.101505
ΔH_f, kcal/mol:	-146.1
Dipole, Da:	5.01
IP(EA), eV:	-8.96(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-methoxy-1-oxopropan-2-yl)amino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(CNCC(CC(=O)O)O)N(C)C

DOS

IR

Vibrations