Geometry & MOs

Info

ID:	294969
PubChem CID:	117509914
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-66.4
Dipole, Da:	1.68
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)piperidine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)Br)OC)C2CCNCC2

DOS

IR

Vibrations