Geometry & MOs

Info

ID:	294968
PubChem CID:	117509871
Reduced:	BrNSO2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-29.69
Dipole, Da:	2.73
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-ethyl-2,4-dimethoxyphenyl)piperidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C2(CCC2)N=C=O)SC

DOS

IR

Vibrations