Geometry & MOs

Info

ID:	432770
PubChem CID:	135172907
Reduced:	FN3O5C27H34 (1)
Stoich.:	AB3C5D27E34 (1)
Weight, g/mol:	353.195506
ΔH_f, kcal/mol:	-208.92
Dipole, Da:	6.44
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(2,5-difluorophenyl)-2-(3,3-dimethylbutan-2-yl)pyrrole

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC3=CC=C(C=C3)F)C=C2)C(=O)NO

DOS

IR

Vibrations