Geometry & MOs

Info

ID:	233265
PubChem CID:	89449570
Reduced:	ClO2N4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	84.89
Dipole, Da:	2.8
IP(EA), eV:	-9.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-1-[1-(methoxycarbonylamino)ethenylamino]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CN2C(=C1)C(=NC(=N2)COOC=N)Cl

DOS

IR

Vibrations