Geometry & MOs

Info

ID:	30616
PubChem CID:	841576
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	327.138305
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	0.99
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NNC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations