Geometry & MOs

Info

ID:	376567
PubChem CID:	134222587
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	467.08445
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	4.27
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-2-[(2-bromo-5,6-dihydrobenzo[f]quinoxalin-3-yl)amino]-3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CC=CO1)NC2=NC3=CC=CC=C3N=C2Cl

DOS

IR

Vibrations