Geometry & MOs

Info

ID:	255485
PubChem CID:	103132395
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	7.6
IP(EA), eV:	-9.72(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-3-yl)-4-propylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2CCC2C(=O)O

DOS

IR

Vibrations