Geometry & MOs

Info

ID:	198357
PubChem CID:	79091600
Reduced:	O2F3N3H10C12 (1)
Stoich.:	A2B3C3D10E12 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-148.43
Dipole, Da:	5.26
IP(EA), eV:	-9.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2-methoxyphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(CN1)C#N)C(=O)C2=CC(=C(C(=C2F)O)F)F

DOS

IR

Vibrations