Geometry & MOs

Info

ID:	264002
PubChem CID:	103415182
Reduced:	SBr2N2O3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-methoxyethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)NS(=O)(=O)CC2CCNCC2)Br)Br

DOS

IR

Vibrations