Geometry & MOs

Info

ID:	310941
PubChem CID:	126588572
Reduced:	BrNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	3.59
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-propan-2-ylphenyl]-N-hydroxycarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations