Geometry & MOs

Info

ID:	417876
PubChem CID:	135102947
Reduced:	N4O5C23H34 (1)
Stoich.:	A4B5C23D34 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-222.72
Dipole, Da:	9.01
IP(EA), eV:	-9.01(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methyl-7-methylsulfanylquinolin-2-yl)piperidin-4-yl]-pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations