Geometry & MOs

Info

ID:	199903
PubChem CID:	79316539
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	3.51
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CN(N=N2)C3CNC3)CO

DOS

IR

Vibrations