Geometry & MOs

Info

ID:	440101
PubChem CID:	135230001
Reduced:	ClF2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	447.174978
ΔH_f, kcal/mol:	7.61
Dipole, Da:	3.47
IP(EA), eV:	-8.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]-3-piperidin-4-yliminoprop-1-en-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=CC(=CC=C2)C3=CN=C4C(=N3)N(CCN4)CC5=C(C=CC(=C5Cl)F)F

DOS

IR

Vibrations