Geometry & MOs

Info

ID:	136699
PubChem CID:	52087321
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	413.158685
ΔH_f, kcal/mol:	-152.71
Dipole, Da:	6.6
IP(EA), eV:	-8.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)O[C@@H](C)C(=O)NC2=CC3=C(C=C2)OCC(=O)N3CC(C)C)C

DOS

IR

Vibrations