Geometry & MOs

Info

ID:	10408
PubChem CID:	101461
Reduced:	BrNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	317.02627
ΔH_f, kcal/mol:	-134.99
Dipole, Da:	4.36
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCCBr

DOS

IR

Vibrations