Geometry & MOs

Info

ID:	287807
PubChem CID:	104295009
Reduced:	ClOF2N2H9C14 (1)
Stoich.:	ABC2D2E9F14 (1)
Weight, g/mol:	237.09652
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	1.43
IP(EA), eV:	-8.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluoro-5-methylbenzoyl)pentanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C2=NC3=C(O2)C=C(C(=C3)Cl)N

DOS

IR

Vibrations