Geometry & MOs

Info

ID:	389705
PubChem CID:	134994549
Reduced:	SC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	309.02258
ΔH_f, kcal/mol:	25.08
Dipole, Da:	2.2
IP(EA), eV:	-8.9(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-2-iodo-3,3-dimethyl-2-(nitromethyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC1CCCC12C(S2)C3=CC=CC=C3

DOS

IR

Vibrations