Geometry & MOs

Info

ID:	373569
PubChem CID:	131317383
Reduced:	O3F4H6C9 (1)
Stoich.:	A3B4C6D9 (1)
Weight, g/mol:	168.00904
ΔH_f, kcal/mol:	-317.41
Dipole, Da:	2.97
IP(EA), eV:	-10.13(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-chloro-5-hydroxybenzonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1F)C(F)(F)F)O

DOS

IR

Vibrations