Geometry & MOs

Info

ID:	202104
PubChem CID:	79629785
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	4.91
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-chloro-2-methylanilino)-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C=C(C=C1)Br)CN)C(=O)OC

DOS

IR

Vibrations