Geometry & MOs

Info

ID:	271070
PubChem CID:	103642672
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	4.91
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(CNC1=NNC(=O)NC1=O)N(C)C2CC2

DOS

IR

Vibrations