Geometry & MOs

Info

ID:	193088
PubChem CID:	78340573
Reduced:	O4N5C23H37 (1)
Stoich.:	A4B5C23D37 (1)
Weight, g/mol:	299.212338
ΔH_f, kcal/mol:	-207.16
Dipole, Da:	3.94
IP(EA), eV:	-8.62(0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,5,7-trimethyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CCN1C2CCCCC2C(=O)N(C1=O)CC(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4

DOS

IR

Vibrations