Geometry & MOs

Info

ID:	349194
PubChem CID:	127274920
Reduced:	F2N3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	388.123463
ΔH_f, kcal/mol:	-219.87
Dipole, Da:	3.26
IP(EA), eV:	-9.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCOC(C2)C3=CC(=C(C=C3)F)F)C4CC4

DOS

IR

Vibrations