Geometry & MOs

Info

ID:	294970
PubChem CID:	117509926
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	3.61
IP(EA), eV:	-8.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3,4-dimethoxy-2-methylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1C2CCCCN2)Br)OC)OC

DOS

IR

Vibrations