Geometry & MOs

Info

ID:	403150
PubChem CID:	135058982
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	2.01
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-methyl-4-(4-nitrophenyl)pyrrol-2-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=NC2=C(C=CC=C2O1)C

DOS

IR

Vibrations