Geometry & MOs

Info

ID:	145456
PubChem CID:	53528092
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	373.082934
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	3.74
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)CC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations