Geometry & MOs

Info

ID:	423606
PubChem CID:	135119836
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	403.210721
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	7.24
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NOC(=N3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations