Geometry & MOs

Info

ID:	157886
PubChem CID:	56458796
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	365.081016
ΔH_f, kcal/mol:	34.17
Dipole, Da:	5.05
IP(EA), eV:	-8.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,6-dichlorophenyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)NC2=NC(=NN2)N3CCCCC3

DOS

IR

Vibrations