Geometry & MOs

Info

ID:	310960
PubChem CID:	126588610
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	376.07864
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	6.75
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations