Geometry & MOs

Info

ID:	137754
PubChem CID:	52257352
Reduced:	OCl2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	4.87
IP(EA), eV:	-9.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-6-methylphenyl)-3-[(2,3,4-trimethoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=NN=CN1C)NC(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations