Geometry & MOs

Info

ID:	414109
PubChem CID:	135087063
Reduced:	ClNOF3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	330.125594
ΔH_f, kcal/mol:	-181.55
Dipole, Da:	4.59
IP(EA), eV:	-9.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylphenyl)-2-oxo-2-phenylethyl] benzoate

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C1=CC=CC=C1Cl)/C(F)(F)F

DOS

IR

Vibrations