Geometry & MOs

Info

ID:	64858
PubChem CID:	29204104
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	4.35
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylquinolin-4-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C

DOS

IR

Vibrations