Geometry & MOs

Info

ID:	253445
PubChem CID:	103118506
Reduced:	FON4H9C15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	55.58
Dipole, Da:	3.7
IP(EA), eV:	-9.98(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(C#N)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations