Geometry & MOs

Info

ID:	394058
PubChem CID:	135022260
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-140.24
Dipole, Da:	0.68
IP(EA), eV:	-9.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-5-(2-phenylethyl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@@H]1[C@@H](CC[C@@]1(C)CCOCC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations