Geometry & MOs

Info

ID:	299183
PubChem CID:	117675851
Reduced:	O3N7C25H35 (1)
Stoich.:	A3B7C25D35 (1)
Weight, g/mol:	600.317252
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	1.79
IP(EA), eV:	-8.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpropyl)anilino]-5-[3-(prop-2-enoylamino)phenoxy]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCN(CC3)C)O[C@@H]4CCN(C4)C(=O)CC

DOS

IR

Vibrations