Geometry & MOs

Info

ID:	192395
PubChem CID:	78263889
Reduced:	FN2O7H21C25 (1)
Stoich.:	AB2C7D21E25 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-169.92
Dipole, Da:	5.5
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dihydro-1H-inden-5-yloxy)propylsulfanyl]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC2C(CC1F)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations