Geometry & MOs

Info

ID:	193448
PubChem CID:	78396016
Reduced:	O3N4H14C17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	332.128469
ΔH_f, kcal/mol:	84.29
Dipole, Da:	4.0
IP(EA), eV:	-8.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 7-(4-fluorophenyl)-5-methylidene-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1C(C=C2C(C1=O)C(N3C(=N2)N=CN3)C4=CC=CO4)C5=CC=CO5

DOS

IR

Vibrations