Geometry & MOs

Info

ID:	283427
PubChem CID:	103980120
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	3.15
IP(EA), eV:	-9.48(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-yl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)C2CCCC2C1=O)N

DOS

IR

Vibrations