Geometry & MOs

Info

ID:	419135
PubChem CID:	135107583
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	41.53
Dipole, Da:	2.7
IP(EA), eV:	-9.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)CN3C[C@H]([C@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations