Geometry & MOs

Info

ID:	343142
PubChem CID:	127266315
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	6.0
IP(EA), eV:	-8.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyrimidin-4-yl)-3-[4-(pyridin-2-ylamino)cyclohexyl]urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=C3C=CC=CN3N=C2

DOS

IR

Vibrations