Geometry & MOs

Info

ID:	220828
PubChem CID:	85240141
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	6.92
IP(EA), eV:	-9.56(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-2-(phenylmethoxymethyl)bicyclo[3.1.1]heptane-2,3-diol

Drug info:

PubChemData

Smile

CC(C1CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations