Geometry & MOs

Info

ID:	73074
PubChem CID:	48416942
Reduced:	ClO2N4H7C13 (1)
Stoich.:	AB2C4D7E13 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	47.17
Dipole, Da:	3.6
IP(EA), eV:	-9.52(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(5-amino-4-cyanopyrazole-1-carbonyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C=C(O2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations