Geometry & MOs

Info

ID:	321436
PubChem CID:	126666035
Reduced:	FNO4H8C12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-120.17
Dipole, Da:	4.29
IP(EA), eV:	-10.81(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-1,2,4-triazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)O)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations