Geometry & MOs

Info

ID:	310978
PubChem CID:	126588664
Reduced:	BrNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	439.06444
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	3.33
IP(EA), eV:	-8.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)NC(=O)OCC)C

DOS

IR

Vibrations