Geometry & MOs

Info

ID:	235086
PubChem CID:	92304014
Reduced:	FNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	319.121986
ΔH_f, kcal/mol:	-181.9
Dipole, Da:	5.13
IP(EA), eV:	-9.05(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S)-2-(4-fluorophenoxy)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)[C@@H](C)OC2=CC=C(C=C2)F)C)C(=O)OC

DOS

IR

Vibrations