Geometry & MOs

Info

ID:	167585
PubChem CID:	74846746
Reduced:	SN2O6C27H38 (1)
Stoich.:	AB2C6D27E38 (1)
Weight, g/mol:	305.153955
ΔH_f, kcal/mol:	-245.7
Dipole, Da:	8.63
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-6-propanoyl-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC1CCCO1)CC(=O)N(CC2=CC=CC=C2)CC3=COC4CCC(CC4C3=O)C

DOS

IR

Vibrations