Geometry & MOs

Info

ID:	73045
PubChem CID:	48416873
Reduced:	ON3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	288.102254
ΔH_f, kcal/mol:	13.0
Dipole, Da:	3.57
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations