Geometry & MOs

Info

ID:	55147
PubChem CID:	17389820
Reduced:	ClO2N3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	8.57
IP(EA), eV:	-9.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(2-formylpyrrol-1-yl)-3-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)C(=NN2)C(=O)O.Cl

DOS

IR

Vibrations