Geometry & MOs

Info

ID:	417039
PubChem CID:	135091148
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	379.187147
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	2.01
IP(EA), eV:	-9.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-4-piperidin-1-ylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC)O

DOS

IR

Vibrations