Geometry & MOs

Info

ID:	251924
PubChem CID:	103107886
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	241.081104
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	4.58
IP(EA), eV:	-8.76(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(carbamoylamino)-3-oxopropyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CSC=C1

DOS

IR

Vibrations