Geometry & MOs

Info

ID:	343480
PubChem CID:	127266653
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	2.59
IP(EA), eV:	-8.76(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(4-ethoxyphenyl)triazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CNCC2=CC=CC=C2OC)O

DOS

IR

Vibrations