Geometry & MOs

Info

ID:	374174
PubChem CID:	131324962
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	1.81
IP(EA), eV:	-8.88(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1CC(C1)(C2CCNCC2)C(=O)OC

DOS

IR

Vibrations