Geometry & MOs

Info

ID:	252825
PubChem CID:	103114371
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	309.068033
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	5.13
IP(EA), eV:	-10.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(5-chloro-2-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations