Geometry & MOs

Info

ID:	279393
PubChem CID:	103843697
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	267.219829
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	5.43
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CSC(=C1)Br)CO

DOS

IR

Vibrations