Geometry & MOs

Info

ID:	252927
PubChem CID:	103114985
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-20.42
Dipole, Da:	6.17
IP(EA), eV:	-9.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=C(N=NN2CCN)C(=O)O

DOS

IR

Vibrations