Geometry & MOs

Info

ID:	59410
PubChem CID:	24856600
Reduced:	O2N6H14C17 (1)
Stoich.:	A2B6C14D17 (1)
Weight, g/mol:	418.222957
ΔH_f, kcal/mol:	54.73
Dipole, Da:	1.52
IP(EA), eV:	-8.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC2=NC=C(N3C2=NC=C3)C4=CNN=C4

DOS

IR

Vibrations