Geometry & MOs

Info

ID:	374750
PubChem CID:	131342612
Reduced:	BrNF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	-151.25
Dipole, Da:	3.65
IP(EA), eV:	-9.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(2-hydroxyphenyl)pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C[C@@H]1N)C=C(C=C2C(F)(F)F)Br

DOS

IR

Vibrations