Geometry & MOs

Info

ID:	405009
PubChem CID:	135072123
Reduced:	ClNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	4.88
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N,2-dimethyl-3-oxo-N-phenylbutanamide

Drug info:

PubChemData

Smile

CC(=O)O/N=C(\CC=C)/C1=CC=C(C=C1)Cl

DOS

IR

Vibrations