Geometry & MOs

Info

ID:	416079
PubChem CID:	135089087
Reduced:	SO6N7C31H43 (1)
Stoich.:	AB6C7D31E43 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-239.16
Dipole, Da:	3.31
IP(EA), eV:	-9.19(-0.32)
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-methylbutan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CC2=CSC(=N2)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations