Geometry & MOs

Info

ID:	55154
PubChem CID:	17389831
Reduced:	ClNO4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	2.57
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-methyl-2-pyrrol-1-ylpentanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)O)COC2=CC(=CC=C2)Cl

DOS

IR

Vibrations