Geometry & MOs

Info

ID:	56113
PubChem CID:	17404509
Reduced:	FN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	7.49
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC=C2OCC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations