Geometry & MOs

Info

ID:	252889
PubChem CID:	103114799
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	5.5
IP(EA), eV:	-9.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxyethyl)-5-[(3-methylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=C(N=NN2C(C)C(=O)N)C(=O)O

DOS

IR

Vibrations