Geometry & MOs

Info

ID:	414447
PubChem CID:	135087405
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	14.89
Dipole, Da:	1.92
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(4-methylquinolin-2-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1N2C=CN=C2)N3C=C(C4=CC=CC=C43)C(=O)C

DOS

IR

Vibrations