Geometry & MOs

Info

ID:	41739
PubChem CID:	8147012
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	349.166451
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	2.97
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC2=NC=NC3=C2C=NN3C4=CC=CC=C4

DOS

IR

Vibrations