Geometry & MOs

Info

ID:	252705
PubChem CID:	103113439
Reduced:	NO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-197.39
Dipole, Da:	6.28
IP(EA), eV:	-9.75(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(1-methylimidazol-2-yl)ethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1CC(CCC1=O)C(=O)O

DOS

IR

Vibrations