Geometry & MOs

Info

ID:	126846
PubChem CID:	50981211
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	35.95
Dipole, Da:	4.35
IP(EA), eV:	-8.97(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-(2-pyrazol-1-ylbutanoylamino)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC2=NC(=NN2)C3CC3

DOS

IR

Vibrations