Geometry & MOs

Info

ID:	200672
PubChem CID:	79425519
Reduced:	NO4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-182.57
Dipole, Da:	3.89
IP(EA), eV:	-9.68(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCC1(CCOCCO)C(=O)O

DOS

IR

Vibrations