Geometry & MOs

Info

ID:	137758
PubChem CID:	52258317
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	10.28
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)methyl]urea

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C#N)OC)OC

DOS

IR

Vibrations