Geometry & MOs

Info

ID:	425118
PubChem CID:	135125218
Reduced:	ClN2O4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	2.52
IP(EA), eV:	-9.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(4-methylquinolin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=CC5=CC(=NC=C5C=C4)Cl

DOS

IR

Vibrations