Geometry & MOs

Info

ID:	371644
PubChem CID:	131269525
Reduced:	BrN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	272.00481
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	3.41
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[2-(hydroxymethyl)-3-methoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)Br)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations