Geometry & MOs

Info

ID:	139554
PubChem CID:	52556422
Reduced:	NOH5C6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	302.179442
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	9.21
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2,5-dimethyl-N-(2-methylbutan-2-yl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations