Geometry & MOs

Info

ID:	411411
PubChem CID:	135084234
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-4.15
Dipole, Da:	4.91
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-cyano-N-methyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations