Geometry & MOs

Info

ID:	252785
PubChem CID:	103114115
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	227.107005
ΔH_f, kcal/mol:	5.08
Dipole, Da:	4.7
IP(EA), eV:	-8.75(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(3-fluoropropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C(=NC(=N1)C2CC2)NN)C

DOS

IR

Vibrations