Geometry & MOs

Info

ID:	295093
PubChem CID:	117516705
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	343.07831
ΔH_f, kcal/mol:	-149.18
Dipole, Da:	8.68
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-2,3,4-trimethoxyphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1C(CN)C(=O)O)Br)OCCCO2

DOS

IR

Vibrations