Geometry & MOs

Info

ID:	376565
PubChem CID:	134222584
Reduced:	BrClN2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	371.103669
ΔH_f, kcal/mol:	51.45
Dipole, Da:	0.29
IP(EA), eV:	-9.48(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-2-[(3-chloroquinoxalin-2-yl)amino]-3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=N1)Cl)C2=CC=CC=C2)Br

DOS

IR

Vibrations