Geometry & MOs

Info

ID:	374414
PubChem CID:	131328764
Reduced:	BrN4H5C8 (1)
Stoich.:	AB4C5D8 (1)
Weight, g/mol:	164.058578
ΔH_f, kcal/mol:	99.62
Dipole, Da:	3.05
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-hydroxy-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C(=C1)CC#N)Br

DOS

IR

Vibrations