Geometry & MOs

Info

ID:	374696
PubChem CID:	131342491
Reduced:	FNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	195.045092
ΔH_f, kcal/mol:	-156.91
Dipole, Da:	0.59
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-hydroxyphenyl)butanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations