Geometry & MOs

Info

ID:	377717
PubChem CID:	134223781
Reduced:	OSN2H28C48 (1)
Stoich.:	ABC2D28E48 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	192.81
Dipole, Da:	3.08
IP(EA), eV:	-8.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6C9=CC=CC=C9O8)C1=C2C=CC2=C1C1=CC=CC=C1S2

DOS

IR

Vibrations