Geometry & MOs

Info

ID:	83912
PubChem CID:	49862408
Reduced:	F2N3O3C29H39 (1)
Stoich.:	A2B3C3D29E39 (1)
Weight, g/mol:	294.082684
ΔH_f, kcal/mol:	-213.26
Dipole, Da:	5.74
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[hydroxy(thiophen-2-yl)methyl]phenyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC(=CC=C3)N4CCCOCC4)O

DOS

IR

Vibrations