Geometry & MOs

Info

ID:	30312
PubChem CID:	841119
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	3.33
IP(EA), eV:	-8.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NN=CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations