Geometry & MOs

Info

ID:	353061
PubChem CID:	127284211
Reduced:	FNSO3C20H28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-185.34
Dipole, Da:	2.82
IP(EA), eV:	-9.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CC2(CC1CC(C2)(C)C)C)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations