Geometry & MOs

Info

ID:	170565
PubChem CID:	75253490
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	56.89
Dipole, Da:	5.11
IP(EA), eV:	-9.05(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrol-6-yl)-8aH-isoquinolin-3-ylidene]-1H-pyrrolo[2,3-c]pyridin-2-one

Drug info:

PubChemData

Smile

C1CNC2C1N(CC2)C3C=NC(=C4C5=CC(=NC=C5NC4=O)Cl)C6=CC=CC=C36

DOS

IR

Vibrations