Geometry & MOs

Info

ID:	403647
PubChem CID:	135061171
Reduced:	FON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	228.01188
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	4.44
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-3,4-dideuteriobutan-2-one

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CN=C21)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations