Geometry & MOs

Info

ID:	341344
PubChem CID:	127264037
Reduced:	ClN3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	43.81
Dipole, Da:	2.26
IP(EA), eV:	-9.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-cyclopropylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1N=CN2C)Cl

DOS

IR

Vibrations