Geometry & MOs

Info

ID:	195197
PubChem CID:	78653689
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	358.112899
ΔH_f, kcal/mol:	-143.49
Dipole, Da:	4.56
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-cyano-3-(2,6-difluorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C)O

DOS

IR

Vibrations