Geometry & MOs

Info

ID:	343060
PubChem CID:	127266233
Reduced:	F3O3N4C17H25 (1)
Stoich.:	A3B3C4D17E25 (1)
Weight, g/mol:	420.156433
ΔH_f, kcal/mol:	-249.79
Dipole, Da:	5.25
IP(EA), eV:	-9.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2(CCOCC2)NC(=O)C3CCN(C3)CC(F)(F)F

DOS

IR

Vibrations