Geometry & MOs

Info

ID:	326243
PubChem CID:	126687221
Reduced:	ClFN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	407.163664
ΔH_f, kcal/mol:	43.28
Dipole, Da:	2.0
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(1S,2S)-2-[[2-(1-amino-5-chloro-7,7a-dihydropyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-1-methylcyclohexyl]hydroxylamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl)N

DOS

IR

Vibrations