Geometry & MOs

Info

ID:	298404
PubChem CID:	117649194
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	348.127406
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	3.77
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-1-(4-fluorophenyl)-4-methyl-3-phenylmethoxypyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1OCC2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)OC)C(=O)C

DOS

IR

Vibrations