Geometry & MOs

Info

ID:	320429
PubChem CID:	126660857
Reduced:	ClC9H13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	515.242707
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	2.71
IP(EA), eV:	-9.11(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-morpholin-4-yl-2-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-3H-pyrazino[1,2-b]pyridazin-7-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC[C@H](C=C1)Cl

DOS

IR

Vibrations