Geometry & MOs

Info

ID:	211679
PubChem CID:	81049455
Reduced:	NOF2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	304.103021
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCNCC1=C(C2=C(C=CC(=C2O1)F)F)C

DOS

IR

Vibrations