Geometry & MOs

Info

ID:	262007
PubChem CID:	103266035
Reduced:	NO3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	-159.77
Dipole, Da:	4.02
IP(EA), eV:	-8.98(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNCCCCC(=O)O)OC

DOS

IR

Vibrations