Geometry & MOs

Info

ID:	261530
PubChem CID:	103238657
Reduced:	BrFON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	266.0266
ΔH_f, kcal/mol:	-88.64
Dipole, Da:	3.41
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-acetamidoethylamino)-2-bromopropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NCC(=O)NC2CCCCC2)Br)F

DOS

IR

Vibrations