Geometry & MOs

Info

ID:	252091
PubChem CID:	103109051
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	4.32
IP(EA), eV:	-9.43(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(5-methylpyridin-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1CCC(C1)N

DOS

IR

Vibrations