Geometry & MOs

Info

ID:	14284
PubChem CID:	408046
Reduced:	ClN3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	334.205001
ΔH_f, kcal/mol:	35.82
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751059
Charge, e:	1

Chem-info

IUPAC name:

4-[(7-chloroquinolin-4-yl)amino]pentyl-diethyl-methylazanium

Drug info:

PubChemData

Smile

CC[N+](C)(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

DOS

IR

Vibrations