Geometry & MOs

Info

ID:	168907
PubChem CID:	75040740
Reduced:	SSi3O6C39H72 (1)
Stoich.:	AB3C6D39E72 (1)
Weight, g/mol:	294.116841
ΔH_f, kcal/mol:	-461.09
Dipole, Da:	3.3
IP(EA), eV:	-8.65(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(C(C1C=CC(CC2=CC(=CC=C2)COC)O[Si](C)(C)C(C)(C)C)CCSCCCC(=O)OC)O[Si](C)(C)C

DOS

IR

Vibrations