Geometry & MOs

Info

ID:	253969
PubChem CID:	103121904
Reduced:	O3N6C10H14 (1)
Stoich.:	A3B6C10D14 (1)
Weight, g/mol:	280.097168
ΔH_f, kcal/mol:	-16.07
Dipole, Da:	7.1
IP(EA), eV:	-10.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations