Geometry & MOs

Info

ID:	13098
PubChem CID:	221229
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-149.32
Dipole, Da:	3.3
IP(EA), eV:	-7.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-(5-methylquinolin-8-yl)hexane-1,6-diamine;oxalic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCCCCNC1=C2C(=C(C=C1)C)C=CC=N2.C(=O)(C(=O)O)O

DOS

IR

Vibrations