Geometry & MOs

Info

ID:	61329
PubChem CID:	26708216
Reduced:	ClN2O2H17C22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	6.25
Dipole, Da:	2.65
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1[C@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)/C=C/C4=CC=CC=N4

DOS

IR

Vibrations