Geometry & MOs

Info

ID:	416790
PubChem CID:	135090428
Reduced:	N6O6C29H40 (1)
Stoich.:	A6B6C29D40 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-244.54
Dipole, Da:	6.47
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CN3C(=CC(=NC3=O)C)C

DOS

IR

Vibrations