Geometry & MOs

Info

ID:	196667
PubChem CID:	78861644
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	338.06299
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	8.51
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bromophenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCCCO

DOS

IR

Vibrations