Geometry & MOs

Info

ID:	308087
PubChem CID:	125316898
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	231.08079
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	5.94
IP(EA), eV:	-10.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2C(=O)O)C(=O)C1

DOS

IR

Vibrations