Geometry & MOs

Info

ID:	299937
PubChem CID:	118009578
Reduced:	BrClSH2N2O2C4 (1)
Stoich.:	ABCD2E2F2G4 (1)
Weight, g/mol:	542.311772
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	4.05
IP(EA), eV:	-9.63(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C1(=C(SC(=N1)NC(=O)O)Cl)Br

DOS

IR

Vibrations