Geometry & MOs

Info

ID:	30742
PubChem CID:	841788
Reduced:	ClNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	7.16
IP(EA), eV:	-8.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-ethylbutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)CCCC2=CC=CC=C2)Cl)OC

DOS

IR

Vibrations