Geometry & MOs

Info

ID:	277741
PubChem CID:	103830705
Reduced:	NF2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	1.83
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)NCC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations