Geometry & MOs

Info

ID:	392468
PubChem CID:	135016853
Reduced:	N2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	344.098391
ΔH_f, kcal/mol:	-200.74
Dipole, Da:	7.16
IP(EA), eV:	-10.17(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-methyl-2-oxo-1-(2,2,2-trifluoroacetyl)-3H-pyrrolo[2,3-c]pyridin-7-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)N)NC(=O)C

DOS

IR

Vibrations