Geometry & MOs

Info

ID:	251953
PubChem CID:	103108072
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	3.33
IP(EA), eV:	-8.43(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-acetamidoethyl)-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC2=C(O1)C(=CC=C2)OC

DOS

IR

Vibrations