Geometry & MOs

Info

ID:	420233
PubChem CID:	135111977
Reduced:	ClON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	58.56
Dipole, Da:	5.12
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-oxazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N(C)CC2=NOC(=N2)C3CCC3)Cl

DOS

IR

Vibrations