Geometry & MOs

Info

ID:	446073
PubChem CID:	135272156
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-74.11
Dipole, Da:	6.15
IP(EA), eV:	-8.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4,4-dimethylpiperidin-1-yl)-6,8-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCCN3CCCC3

DOS

IR

Vibrations