Geometry & MOs

Info

ID:	425342
PubChem CID:	135125991
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	4.49
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCONC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=C(N5C=CN=C5C=C4)C)CC1

DOS

IR

Vibrations