Geometry & MOs

Info

ID:	145880
PubChem CID:	53606198
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	20.04
Dipole, Da:	1.26
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(pyridin-2-ylamino)butyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)OCCCNC(=O)/C=C/C3=CSC=N3)N=CC=C2

DOS

IR

Vibrations