Geometry & MOs

Info

ID:	80568
PubChem CID:	49835169
Reduced:	NC2H2 (8)
Stoich.:	AB2C2 (8)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	129.95
Dipole, Da:	1.69
IP(EA), eV:	-8.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)quinoxalin-2-yl]piperidin-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC2=CC=CC3=C2C=NN3)C4=NC(=NC(=C4)N)C

DOS

IR

Vibrations