Geometry & MOs

Info

ID:	197709
PubChem CID:	78988589
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	4.03
IP(EA), eV:	-9.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NC2CCC(CC2)O

DOS

IR

Vibrations