Geometry & MOs

Info

ID:	310886
PubChem CID:	126588361
Reduced:	NF2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	413.04381
ΔH_f, kcal/mol:	-198.51
Dipole, Da:	4.12
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=CC=CC=C2NC(=O)OC)C(F)F

DOS

IR

Vibrations