Geometry & MOs

Info

ID:	253418
PubChem CID:	103118328
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	256.153541
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	4.31
IP(EA), eV:	-9.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(3-hydroxy-3-methylbutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CCCC(C1)N2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations