Geometry & MOs

Info

ID:	238744
PubChem CID:	92765374
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	5.54
IP(EA), eV:	-8.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-4-[2-oxo-2-(2-propan-2-yliminopyridin-1-yl)ethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C/C(=C\C(=O)C)/N[C@H]1[C@H](CC1)N/C(=C/C(=O)C)/C

DOS

IR

Vibrations