Geometry & MOs

Info

ID:	73312
PubChem CID:	48417409
Reduced:	ClOF3N6H14C16 (1)
Stoich.:	ABC3D6E14F16 (1)
Weight, g/mol:	340.128388
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	2.02
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations