Geometry & MOs

Info

ID:	244592
PubChem CID:	99368087
Reduced:	BrFN2O3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	432.06847
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	5.62
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-hydroxyphenyl)methyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)CCNC(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations