Geometry & MOs

Info

ID:	253397
PubChem CID:	103118171
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	242.13789
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	4.44
IP(EA), eV:	-9.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-ethoxyethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CN(CCC1=O)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations