Geometry & MOs

Info

ID:	133990
PubChem CID:	51623268
Reduced:	ClFON3C21H26 (1)
Stoich.:	ABCD3E21F26 (1)
Weight, g/mol:	321.207922
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	4.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752583
Charge, e:	1

Chem-info

IUPAC name:

2-(dimethylamino)ethyl-(pyridin-4-ylmethyl)-(quinolin-6-ylmethyl)azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)N2CC[NH+](CC2)CCC3=CC=CC=C3

DOS

IR

Vibrations