Geometry & MOs

Info

ID:	184115
PubChem CID:	77111888
Reduced:	FOSN3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	-75.42
Dipole, Da:	4.04
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)sulfanylmethyl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCNCC1CC(=O)NC(N1)CSC2=CC=C(C=C2)F

DOS

IR

Vibrations