Geometry & MOs

Info

ID:	261482
PubChem CID:	103235692
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	4.37
IP(EA), eV:	-8.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-fluoro-2-methylanilino)hexanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NCC2=C(C=C(C=C2)C(=O)O)Br)C

DOS

IR

Vibrations