Geometry & MOs

Info

ID:	120889
PubChem CID:	50749008
Reduced:	ClFON5H17C21 (1)
Stoich.:	ABCD5E17F21 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	31.13
Dipole, Da:	8.17
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)CN(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4F)C

DOS

IR

Vibrations