Geometry & MOs

Info

ID:	143043
PubChem CID:	53138157
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	3.52
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)CCC(=O)NCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations