Geometry & MOs

Info

ID:	423295
PubChem CID:	135119245
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	1.57
IP(EA), eV:	-8.3(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(4,5-dimethyl-1,3-thiazol-2-yl)-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC[C@@]3(C2)CCC[C@H]3OC)OC

DOS

IR

Vibrations