Geometry & MOs

Info

ID:	326304
PubChem CID:	126687301
Reduced:	ClFOPN6C23H35 (1)
Stoich.:	ABCDE6F23G35 (1)
Weight, g/mol:	432.184065
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	1.18
IP(EA), eV:	-8.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCNC(=O)C[C@@]1(CCCC(C1)NC2=C(CN(C(N2C)C3=CNC4C3=CC(=CN4)Cl)C)F)P

DOS

IR

Vibrations