Geometry & MOs

Info

ID:	183633
PubChem CID:	77046964
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	249.071368
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	2.88
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(2,4-difluorophenyl)methyl]-5-methylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=NO)C1=CSC(=N1)NC(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations