Geometry & MOs

Info

ID:	253546
PubChem CID:	103119142
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	372.00832
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	5.49
IP(EA), eV:	-9.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(4-iodophenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=NN(C=C2)C)C

DOS

IR

Vibrations