Geometry & MOs

Info

ID:	73215
PubChem CID:	48417214
Reduced:	ClON5H6C10 (1)
Stoich.:	ABC5D6E10 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	72.09
Dipole, Da:	3.48
IP(EA), eV:	-9.63(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)N2C(=C(C=N2)C#N)N)Cl

DOS

IR

Vibrations