Geometry & MOs

Info

ID:	251555
PubChem CID:	103104864
Reduced:	FN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-102.72
Dipole, Da:	6.83
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-carbamoylphenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=CC(=C2)F)OC)C

DOS

IR

Vibrations