Geometry & MOs

Info

ID:	352475
PubChem CID:	127283563
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	5.64
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations