Geometry & MOs

Info

ID:	30448
PubChem CID:	841348
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	338.117904
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	0.59
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=C(C(=NN2C)C)Cl

DOS

IR

Vibrations