Geometry & MOs

Info

ID:	191844
PubChem CID:	78193998
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-141.34
Dipole, Da:	6.13
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(2-naphthalen-2-ylethyl)-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCC=C1C2=C(C=C(C=C2)N3CC(OC3=O)COC4=CN=C(C=C4)N)F

DOS

IR

Vibrations