Geometry & MOs

Info

ID:	372779
PubChem CID:	131304580
Reduced:	BrFON2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	4.68
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-chloropropanoyl)-5-methylphenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1CCNC2=C1C=C(C=C2Br)F

DOS

IR

Vibrations