Geometry & MOs

Info

ID:	199908
PubChem CID:	79316563
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	8.3
IP(EA), eV:	-9.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-(1-cyclopropylpropan-2-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCC(C)N1CC(C1)N2C=C(N=N2)C(=O)O

DOS

IR

Vibrations