Geometry & MOs

Info

ID:	140023
PubChem CID:	52633008
Reduced:	O2N5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.228717
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(diethylamino)pyridin-3-yl]methyl]-N'-quinolin-8-yloxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=[NH+]C=C(C=C1)CNC(=O)C(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations