Geometry & MOs

Info

ID:	201527
PubChem CID:	79551034
Reduced:	SN2O3C10H22 (1)
Stoich.:	AB2C3D10E22 (1)
Weight, g/mol:	320.11396
ΔH_f, kcal/mol:	-162.07
Dipole, Da:	6.47
IP(EA), eV:	-9.84(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC(C)(C)S(=O)(=O)C)N

DOS

IR

Vibrations