Geometry & MOs

Info

ID:	373533
PubChem CID:	131316580
Reduced:	FO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	8.71
IP(EA), eV:	-8.92(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-chloro-2-oxopropyl)-4-methylphenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2NOC(=N2)CN)C(=CC1=O)F

DOS

IR

Vibrations