Geometry & MOs

Info

ID:	64803
PubChem CID:	29204022
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	2.93
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations