Geometry & MOs

Info

ID:	421364
PubChem CID:	135115868
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	2.2
IP(EA), eV:	-8.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=NC=CN=C3OC

DOS

IR

Vibrations