Geometry & MOs

Info

ID:	186096
PubChem CID:	77390109
Reduced:	O5C14H24 (1)
Stoich.:	A5B14C24 (1)
Weight, g/mol:	424.163472
ΔH_f, kcal/mol:	-243.79
Dipole, Da:	6.02
IP(EA), eV:	-9.85(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)COCC1C(CCO1)OC(=O)C(C)(C)C

DOS

IR

Vibrations