Geometry & MOs

Info

ID:	351130
PubChem CID:	127279688
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-201.19
Dipole, Da:	6.42
IP(EA), eV:	-8.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)[C@H](C)N3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations