Geometry & MOs

Info

ID:	414713
PubChem CID:	135087672
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	378.191898
ΔH_f, kcal/mol:	-83.96
Dipole, Da:	10.27
IP(EA), eV:	-9.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methyl-6-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=C(C=C2)N3C=NN=C3

DOS

IR

Vibrations