Geometry & MOs

Info

ID:	416606
PubChem CID:	135089806
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	2.3
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations