Geometry & MOs

Info

ID:	128385
PubChem CID:	51042166
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	5.18
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)-3-phenylurea

Drug info:

PubChemData

Smile

CC(=O)C1=CNC2=C1C(=CC(=C2)OC)OC

DOS

IR

Vibrations