Geometry & MOs

Info

ID:	376566
PubChem CID:	134222586
Reduced:	ClN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	2.11
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3-chloroquinoxalin-2-yl)amino]-3-(furan-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C(=C/C1=CC=CO1)/NC2=NC3=CC=CC=C3N=C2Cl

DOS

IR

Vibrations