Geometry & MOs

Info

ID:	310994
PubChem CID:	126588730
Reduced:	BrINO4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	392.07356
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	3.87
IP(EA), eV:	-8.42(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2I)N(C(=O)OC)O)Br

DOS

IR

Vibrations