Geometry & MOs

Info

ID:	405808
PubChem CID:	135075471
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-198.87
Dipole, Da:	1.94
IP(EA), eV:	-8.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@@H]([C@H](CCC1(OC2=CC=CC=C2O1)C)O)O

DOS

IR

Vibrations