Geometry & MOs

Info

ID:	200013
PubChem CID:	79331562
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	1.94
IP(EA), eV:	-9.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,5-dimethylphenyl)methyl]bicyclo[3.1.0]hexan-6-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2(C3C2CCC3)O

DOS

IR

Vibrations