Geometry & MOs

Info

ID:	54345
PubChem CID:	17068556
Reduced:	BrNOF2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	458.96678
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	3.95
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2Br)F)F

DOS

IR

Vibrations