Geometry & MOs

Info

ID:	73152
PubChem CID:	48417098
Reduced:	FO2N4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	5.07
Dipole, Da:	3.7
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-pyridin-3-ylpropanoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations