Geometry & MOs

Info

ID:	252046
PubChem CID:	103108740
Reduced:	N2O3C15H32 (1)
Stoich.:	A2B3C15D32 (1)
Weight, g/mol:	317.089082
ΔH_f, kcal/mol:	-181.53
Dipole, Da:	3.9
IP(EA), eV:	-9.14(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(COC(C)CC(C)C)O

DOS

IR

Vibrations