Geometry & MOs

Info

ID:	64805
PubChem CID:	29204024
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	6.75
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC)C

DOS

IR

Vibrations