Geometry & MOs

Info

ID:	324843
PubChem CID:	126678460
Reduced:	NO4C31H43 (1)
Stoich.:	AB4C31D43 (1)
Weight, g/mol:	405.169999
ΔH_f, kcal/mol:	-116.33
Dipole, Da:	4.03
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethyl]-6-[fluoro(hydroperoxy)amino]-4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CC1=CC(=C(C=C1)O)O)C(=C)OC

DOS

IR

Vibrations