Geometry & MOs

Info

ID:	30437
PubChem CID:	841336
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	339.096754
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	5.64
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-nitrophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)F)C

DOS

IR

Vibrations