Geometry & MOs

Info

ID:	425153
PubChem CID:	135125336
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	5.19
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4S)-4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2(CC1)CC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)OC

DOS

IR

Vibrations