Geometry & MOs

Info

ID:	336358
PubChem CID:	127255365
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	243.102607
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	4.09
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-tert-butylbenzoate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N)C2CC2

DOS

IR

Vibrations