Geometry & MOs

Info

ID:	417400
PubChem CID:	135093287
Reduced:	N5O6C31H35 (1)
Stoich.:	A5B6C31D35 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-162.19
Dipole, Da:	5.17
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=C(NN=C5)C6CCCCC6

DOS

IR

Vibrations