Geometry & MOs

Info

ID:	57864
PubChem CID:	24277923
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	8.63
IP(EA), eV:	-9.39(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-ethoxyphenyl)-5-ethyltriazole-4-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations