Geometry & MOs

Info

ID:

399691

PubChem CID:

135041796

Reduced:

C5H7 (3)

Stoich.:

A5B7 (3)

Weight, g/mol:

202.172151

ΔHf, kcal/mol:

10.16

Dipole, Da:

0.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755185

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dimethylcyclohexyl)methylbenzene

Drug info:

PubChemData

Smile

CC1C[CH+]C(CC1CC2=CC=CC=C2)C

DOS

IR

Vibrations