Geometry & MOs

Info

ID:	293415
PubChem CID:	117388087
Reduced:	BrON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	23.3
Dipole, Da:	3.96
IP(EA), eV:	-9.05(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methoxy-4-propan-2-ylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)O)C2=C(NN=C2)N

DOS

IR

Vibrations