Geometry & MOs

Info

ID:	253519
PubChem CID:	103118958
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	6.44
IP(EA), eV:	-10.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(3,3-dimethylbutyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations