Geometry & MOs

Info

ID:	202867
PubChem CID:	79735198
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	331.94599
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	4.73
IP(EA), eV:	-8.98(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCC(CC2)OCCCN

DOS

IR

Vibrations