Geometry & MOs

Info

ID:	173399
PubChem CID:	75633672
Reduced:	F2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	289.101074
ΔH_f, kcal/mol:	-148.98
Dipole, Da:	3.93
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethoxy-(6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidin-5-ylidene)methanolate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)[N+]2=CC=[N+](C(=O)C2=O)CC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations