Geometry & MOs

Info

ID:	344075
PubChem CID:	127267251
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-37.98
Dipole, Da:	3.3
IP(EA), eV:	-9.07(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dioxo-1,2,4-triazolidin-4-yl)-N-(3-ethynylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NC(CO)C#C

DOS

IR

Vibrations