Geometry & MOs

Info

ID:	184973
PubChem CID:	77236147
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	503.253255
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	6.39
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[2-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=NOC5=CC(=O)C=CC54

DOS

IR

Vibrations