Geometry & MOs

Info

ID:	358800
PubChem CID:	127296668
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	364.085767
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	4.29
IP(EA), eV:	-9.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CN=C(C=C2)C(=O)N

DOS

IR

Vibrations