Geometry & MOs

Info

ID:	410492
PubChem CID:	135083290
Reduced:	BrFNO2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	390.019543
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	4.92
IP(EA), eV:	-9.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;chromium;[(2S,3R)-3-(2-methoxyphenyl)oxiran-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1C2=CC=CC=C2C(=O)N1C3CC3(F)Br

DOS

IR

Vibrations