Geometry & MOs

Info

ID:	322443
PubChem CID:	126670176
Reduced:	NOSC17H31 (1)
Stoich.:	ABCD17E31 (1)
Weight, g/mol:	464.246378
ΔH_f, kcal/mol:	-97.38
Dipole, Da:	4.63
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-5,6,7,8-tetrahydroquinolin-4-yl]benzoate

Drug info:

PubChemData

Smile

CCCCCCC(C)(CCCCCC)C1=CNC(=O)S1

DOS

IR

Vibrations