Geometry & MOs

Info

ID:	420854
PubChem CID:	135114930
Reduced:	N3O5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-138.82
Dipole, Da:	7.51
IP(EA), eV:	-9.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC(C)CC1=NC(=NO1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations