Geometry & MOs

Info

ID:	425158
PubChem CID:	135125353
Reduced:	N2O5H28C31 (1)
Stoich.:	A2B5C28D31 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	2.89
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C2C=CC(=C3C4=CN=C(C=C4)OC5CCOC5)C#N

DOS

IR

Vibrations