Geometry & MOs

Info

ID:	251855
PubChem CID:	103107382
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	241.081104
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	9.88
IP(EA), eV:	-9.56(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(methylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations