Geometry & MOs

Info

ID:	134071
PubChem CID:	51636717
Reduced:	N3O5C19H28 (1)
Stoich.:	A3B5C19D28 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107276
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)CC2=NO[C@H](C2)CC3=CC(=C4C(=C3OC)OCO4)OC

DOS

IR

Vibrations