Geometry & MOs

Info

ID:	169875
PubChem CID:	75160009
Reduced:	OSN6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	436.106896
ΔH_f, kcal/mol:	84.22
Dipole, Da:	8.26
IP(EA), eV:	-8.84(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-but-2-enoyl-1,4-diazepan-1-yl)-6,7-dichloroquinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)N1CCN(CC1)C2=NN3C(=CC=NC3=N2)C4=CC=CS4

DOS

IR

Vibrations