Geometry & MOs

Info

ID:	421576
PubChem CID:	135116252
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	8.16
IP(EA), eV:	-8.62(-0.33)
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)-3-(dimethylamino)butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations