Geometry & MOs

Info

ID:	81459
PubChem CID:	49854751
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	388.138284
ΔH_f, kcal/mol:	62.86
Dipole, Da:	2.07
IP(EA), eV:	-8.18(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[[2-(6-morpholin-4-yl-4-oxo-1H-pyrimidin-2-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C3=CC=C(C=C3)C45CC4CNC5

DOS

IR

Vibrations