Geometry & MOs

Info

ID:	310887
PubChem CID:	126588363
Reduced:	BrNF2O3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	461.02995
ΔH_f, kcal/mol:	-194.11
Dipole, Da:	4.73
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-iodophenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)NC(=O)OC)C(F)F

DOS

IR

Vibrations