Geometry & MOs

Info

ID:	253946
PubChem CID:	103121760
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	68.94
Dipole, Da:	6.15
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NO2)C3CCCN3

DOS

IR

Vibrations