Geometry & MOs

Info

ID:	342928
PubChem CID:	127266091
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	288.119796
ΔH_f, kcal/mol:	-55.65
Dipole, Da:	4.26
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(C1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)N)OC

DOS

IR

Vibrations