Geometry & MOs

Info

ID:	318775
PubChem CID:	126653108
Reduced:	F3N3O4H14C18 (1)
Stoich.:	A3B3C4D14E18 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-212.14
Dipole, Da:	2.16
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]acetate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)COC2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations