Geometry & MOs

Info

ID:	371766
PubChem CID:	131271584
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	274.99572
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	4.03
IP(EA), eV:	-9.34(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-2-(5-bromo-2-fluoro-3-methylphenyl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1CCNCC1C#N

DOS

IR

Vibrations