Geometry & MOs

Info

ID:	310846
PubChem CID:	126588168
Reduced:	BrNO4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	409.170079
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	2.22
IP(EA), eV:	-8.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]-3-ethoxyphenyl]-N-hydroxycarbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2Br)N(C(=O)OC)O)C

DOS

IR

Vibrations