Geometry & MOs

Info

ID:	198891
PubChem CID:	79169118
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	277.96909
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	4.25
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxybenzoyl)propanedinitrile

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)COC2=C(N=C(C=C2)C)CCl)CC

DOS

IR

Vibrations