Geometry & MOs

Info

ID:	421791
PubChem CID:	135116620
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	364.176248
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	5.56
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(COC1)CNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations