Geometry & MOs

Info

ID:	425141
PubChem CID:	135125296
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-46.69
Dipole, Da:	9.44
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CN(C)C)C(=O)C1CC1C2=CN(N=N2)C

DOS

IR

Vibrations