Geometry & MOs

Info

ID:	373516
PubChem CID:	131316401
Reduced:	BrON2H5C9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	184.044819
ΔH_f, kcal/mol:	28.11
Dipole, Da:	5.29
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2,3-difluoro-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)NC(=C2C#N)Br

DOS

IR

Vibrations