Geometry & MOs

Info

ID:	251880
PubChem CID:	103107534
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	3.83
IP(EA), eV:	-8.91(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)CNC(C)C(=O)N(C)CC

DOS

IR

Vibrations