Geometry & MOs

Info

ID:	251554
PubChem CID:	103104857
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	293.11757
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	5.67
IP(EA), eV:	-9.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCN(C)C)C

DOS

IR

Vibrations