Geometry & MOs

Info

ID:	30511
PubChem CID:	841435
Reduced:	ON2S2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	260.107339
ΔH_f, kcal/mol:	14.73
Dipole, Da:	4.01
IP(EA), eV:	-8.76(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=S)NC(=O)C2=CC=CS2

DOS

IR

Vibrations