Geometry & MOs

Info

ID:	46074
PubChem CID:	10521169
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	341.142722
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	2.87
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N[C@@]1(CCOC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations