Geometry & MOs

Info

ID:	299008
PubChem CID:	117667468
Reduced:	O4C49H100 (1)
Stoich.:	A4B49C100 (1)
Weight, g/mol:	528.332508
ΔH_f, kcal/mol:	-410.24
Dipole, Da:	5.46
IP(EA), eV:	-10.19(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminophenyl)-6-ethyl-3-[3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCC(C(CO)(CO)CO)OCCCCCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations