Geometry & MOs

Info

ID:	143264
PubChem CID:	53176473
Reduced:	FO4N5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	3.38
IP(EA), eV:	-9.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-(4-fluorophenyl)-4-oxo-3a,5-dihydro-1H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=NNC(=O)C3N2NC(=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations