Geometry & MOs

Info

ID:	252796
PubChem CID:	103114201
Reduced:	BrFO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	4.1
IP(EA), eV:	-10.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-ethyl-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC(=CC(=C2)Br)F)C(=O)OCC=C

DOS

IR

Vibrations