Geometry & MOs

Info

ID:	383691
PubChem CID:	134975554
Reduced:	NOS2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	36.29
Dipole, Da:	4.29
IP(EA), eV:	-8.98(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-1,1-diethoxybutan-2-one

Drug info:

PubChemData

Smile

CC1=C(SS2=C1C=NO2)C3=CC=CC=C3

DOS

IR

Vibrations