Geometry & MOs

Info

ID:	253536
PubChem CID:	103119080
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	-59.4
Dipole, Da:	5.08
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations