Geometry & MOs

Info

ID:	390564
PubChem CID:	134999718
Reduced:	N2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	59.67
Dipole, Da:	2.3
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-quinoxalin-2-ylprop-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)C2=CC=CC=C2)NC3=CC=CC=N3

DOS

IR

Vibrations