Geometry & MOs

Info

ID:	389620
PubChem CID:	134994138
Reduced:	OSCl2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	5.23
IP(EA), eV:	-9.35(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-6,6-dimethyl-2-(nitromethyl)bicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

CCC1CC2=C(C=CC(=C2C(=O)C1(SCl)Cl)C)C

DOS

IR

Vibrations