Geometry & MOs

Info

ID:	48209
PubChem CID:	10537942
Reduced:	FNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	5.73
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CC(=C1)F)N(CCO2)C

DOS

IR

Vibrations