Geometry & MOs

Info

ID:	202862
PubChem CID:	79735114
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	306.00556
ΔH_f, kcal/mol:	20.06
Dipole, Da:	3.67
IP(EA), eV:	-8.21(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(4-ethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC3CCC4=C3C=CC(=C4)N

DOS

IR

Vibrations