Geometry & MOs

Info

ID:	281077
PubChem CID:	103852799
Reduced:	BrFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	4.07
IP(EA), eV:	-9.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-bromo-3-methylbenzoyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)CC2=CC=CC=C2F)Br

DOS

IR

Vibrations