Geometry & MOs

Info

ID:	199106
PubChem CID:	79197416
Reduced:	BrFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	0.27
IP(EA), eV:	-9.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-hydroxypentanoylamino)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C(CC1=C(C=CC(=C1)F)Br)N)OC

DOS

IR

Vibrations