Geometry & MOs

Info

ID:	221001
PubChem CID:	85248173
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	5.49
IP(EA), eV:	-9.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-6-phenyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1(CC(=O)NC1C2=CC=CO2)C3=CC=CC=C3

DOS

IR

Vibrations