Geometry & MOs

Info

ID:	28178
PubChem CID:	826029
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	4.42
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C3=C(C(=CC=C3)OC)NC2=O)C

DOS

IR

Vibrations