Geometry & MOs

Info

ID:	372961
PubChem CID:	131307605
Reduced:	ClFNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	1.2
IP(EA), eV:	-9.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-bromo-2-oxopropyl)-6-methylphenyl]acetonitrile

Drug info:

PubChemData

Smile

C[C@H](CCC1=C(C=CC(=C1)F)Cl)N

DOS

IR

Vibrations