Geometry & MOs

Info

ID:	251665
PubChem CID:	103105789
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	293.11757
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	5.29
IP(EA), eV:	-10.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CCCC(C1)N2C(=C(N=N2)C(=O)OC)CC

DOS

IR

Vibrations