Geometry & MOs

Info

ID:	253561
PubChem CID:	103119264
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	5.82
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2-phenoxyethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations