Geometry & MOs

Info

ID:	382441
PubChem CID:	134973590
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	3.14
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-formyl-4-methyl-3-phenylmethoxy-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CN1)C)OCC2=CC=CC=C2

DOS

IR

Vibrations