Geometry & MOs

Info

ID:	57860
PubChem CID:	24277892
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	4.45
Dipole, Da:	7.92
IP(EA), eV:	-9.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CC(=C3)C

DOS

IR

Vibrations