Geometry & MOs

Info

ID:	399690
PubChem CID:	135041764
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	201.164326
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	4.82
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,5-dimethylcyclohexyl)methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N/C(=C\C(=O)OC)/C2=CC=CC=C2

DOS

IR

Vibrations