Geometry & MOs

Info

ID:	157884
PubChem CID:	56437676
Reduced:	Cl2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	375.06947
ΔH_f, kcal/mol:	22.96
Dipole, Da:	2.3
IP(EA), eV:	-8.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations