Geometry & MOs

Info

ID:	141893
PubChem CID:	52947521
Reduced:	OCl2N5H27C29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	358.125218
ΔH_f, kcal/mol:	70.86
Dipole, Da:	3.79
IP(EA), eV:	-8.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoxalin-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCN4CCN(CC4)C5=C6C=CC(=CC6=NC=C5)Cl

DOS

IR

Vibrations