Geometry & MOs

Info

ID:	186169
PubChem CID:	77398406
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	3.07
IP(EA), eV:	-8.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-pyrazolo[1,5-a]pyridin-6-ylphenyl)ethyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=NN3C=CC=C3C=C2)N4CCC(OC4=O)(CC(C)(C)O)C5=CC=CC=C5

DOS

IR

Vibrations