Geometry & MOs

Info

ID:	127052
PubChem CID:	50988499
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	245.081871
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	6.77
IP(EA), eV:	-9.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-propan-2-yloxybenzoate;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)O.Cl

DOS

IR

Vibrations