Geometry & MOs

Info

ID:	136763
PubChem CID:	52096456
Reduced:	FO4N5H22C23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	6.87
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCN1C=NC2=NC(=CC(=O)N21)COC3=CC=CC=C3NC(=O)COC4=CC(=CC=C4)F

DOS

IR

Vibrations