Geometry & MOs

Info

ID:	23093
PubChem CID:	601788
Reduced:	ClO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	251.046154
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	7.84
IP(EA), eV:	-9.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(N1)Cl)CCC#N)CC#N

DOS

IR

Vibrations