Geometry & MOs

Info

ID:	253394
PubChem CID:	103118136
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	5.1
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC1CCCCN1C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations