Geometry & MOs

Info

ID:	126386
PubChem CID:	50962950
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-63.69
Dipole, Da:	4.34
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enyl-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCC(CC2)(C(=O)O)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations