Geometry & MOs

Info

ID:	310932
PubChem CID:	126588541
Reduced:	BrNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	5.45
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)Br)NC(=O)OC)C

DOS

IR

Vibrations