Geometry & MOs

Info

ID:	420439
PubChem CID:	135113115
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	53.77
Dipole, Da:	5.23
IP(EA), eV:	-9.08(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

C1CN(C(C2=C1NC=N2)C3=CC=CC=N3)CC(=O)NCC4=CC=CS4

DOS

IR

Vibrations