Geometry & MOs

Info

ID:	326165
PubChem CID:	126686853
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	390.137115
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	2.1
IP(EA), eV:	-8.63(1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCO1)NC2CCCCC2

DOS

IR

Vibrations