Geometry & MOs

Info

ID:	69893
PubChem CID:	47205704
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	261.091355
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	2.24
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC=C2CC(=O)NC3=CNN=C3

DOS

IR

Vibrations