Geometry & MOs

Info

ID:	251559
PubChem CID:	103104876
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	341.01752
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	4.2
IP(EA), eV:	-9.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2-bromo-4-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations