Geometry & MOs

Info

ID:	41243
PubChem CID:	8145521
Reduced:	NO4H6C10 (2)
Stoich.:	AB4C6D10 (2)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	1.82
IP(EA), eV:	-10.5(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations