Geometry & MOs

Info

ID:	421577
PubChem CID:	135116253
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	413.16608
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	2.07
IP(EA), eV:	-8.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[5-(oxolan-2-yl)thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)N(C)C

DOS

IR

Vibrations