Geometry & MOs

Info

ID:	378779
PubChem CID:	134224877
Reduced:	ClN2H17C26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	127.56
Dipole, Da:	4.3
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(5,6-dihydrobenzo[f]quinoxalin-3-ylamino)-3-(furan-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)Cl)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations