Geometry & MOs

Info

ID:	425256
PubChem CID:	135125673
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	5.35
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethoxy-6-(8-methoxyquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCC3(O2)CCN(CC3)C(=O)N)C4=C(C5=C(C=CC=N5)C=C4)C

DOS

IR

Vibrations