Geometry & MOs

Info

ID:	251657
PubChem CID:	103105712
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	283.128054
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	5.3
IP(EA), eV:	-9.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=CC=CC=C2C)C(=O)OC

DOS

IR

Vibrations