Geometry & MOs

Info

ID:	252648
PubChem CID:	103112948
Reduced:	FON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	3.92
IP(EA), eV:	-9.39(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=CC(=NC=C1)F

DOS

IR

Vibrations