Geometry & MOs

Info

ID:	294254
PubChem CID:	117443465
Reduced:	ClN2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	275.97973
ΔH_f, kcal/mol:	9.43
Dipole, Da:	4.37
IP(EA), eV:	-8.31(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-3-fluoro-6-methylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)C3(CCCCC3)CN)Cl

DOS

IR

Vibrations