Geometry & MOs

Info

ID:	374825
PubChem CID:	131348433
Reduced:	FSN2O2C10H15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	198.079313
ΔH_f, kcal/mol:	-114.68
Dipole, Da:	5.17
IP(EA), eV:	-9.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxyphenyl)-2-methyl-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=C(C=C(C=C1)S(=O)(=O)N)F)N

DOS

IR

Vibrations