Geometry & MOs

Info

ID:	161209
PubChem CID:	57391045
Reduced:	ClN2O2C27H33 (1)
Stoich.:	AB2C2D27E33 (1)
Weight, g/mol:	448.177837
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	4.87
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(5-chloro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-4-(dimethylamino)-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C(C1)C=C(C=C2)C(=O)CCCN3CCC(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations