Geometry & MOs

Info

ID:	270010
PubChem CID:	103622108
Reduced:	BrFNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-43.83
Dipole, Da:	3.17
IP(EA), eV:	-8.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-N-(oxan-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=C(C=C(C=C2)F)Br)OC

DOS

IR

Vibrations