Geometry & MOs

Info

ID:	368346
PubChem CID:	127327941
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	5.21
IP(EA), eV:	-8.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylcyclohexyl)-3-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3=CC(=C(C=C3)OC)N4CCCC4=O

DOS

IR

Vibrations