Geometry & MOs

Info

ID:	439800
PubChem CID:	135229621
Reduced:	ClOF2N7C23H28 (1)
Stoich.:	ABC2D7E23F28 (1)
Weight, g/mol:	449.154242
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	5.58
IP(EA), eV:	-8.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethylamino]ethanol

Drug info:

PubChemData

Smile

CCN(CCN1C=C(C=N1)C2=CN=C3C(=N2)N(CCN3)CC4=C(C=CC(=C4Cl)F)F)CCOC

DOS

IR

Vibrations