Geometry & MOs

Info

ID:	311089
PubChem CID:	126589309
Reduced:	BrFNO4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	377.163851
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	5.96
IP(EA), eV:	-8.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]-N-hydroxycarbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Br)N(C(=O)OC)O)F

DOS

IR

Vibrations