Geometry & MOs

Info

ID:	253388
PubChem CID:	103118092
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-3.25
Dipole, Da:	3.21
IP(EA), eV:	-10.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-octyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CCC2=CC=NC=C2)CCN

DOS

IR

Vibrations