Geometry & MOs

Info

ID:	192460
PubChem CID:	78271458
Reduced:	ON3C26H28 (1)
Stoich.:	AB3C26D28 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	33.56
Dipole, Da:	5.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008179
Charge, e:	2

Chem-info

IUPAC name:

[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]azaniumyl]-1-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)C[NH2+]C3CCCC4=CC=CC=C34)C5=CC=CC=C51

DOS

IR

Vibrations