Geometry & MOs

Info

ID:	310961
PubChem CID:	126588611
Reduced:	BrN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	424.06477
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	5.46
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-iodophenyl]-3-methylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations