Geometry & MOs

Info

ID:	417835
PubChem CID:	135102893
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	-9.13
Dipole, Da:	8.0
IP(EA), eV:	-8.68(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations