Geometry & MOs

Info

ID:	207362
PubChem CID:	80387173
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	4.87
IP(EA), eV:	-9.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-ynyl-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C(=O)NCCOC2CCCC2

DOS

IR

Vibrations