Geometry & MOs

Info

ID:	184613
PubChem CID:	77183939
Reduced:	N4O5C24H32 (1)
Stoich.:	A4B5C24D32 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-186.07
Dipole, Da:	2.53
IP(EA), eV:	-8.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC=C)C1=NC=CC(=C1)C2=C(C=C(C=C2)NC(=O)OCCOC)N

DOS

IR

Vibrations