Geometry & MOs

Info

ID:	336359
PubChem CID:	127255366
Reduced:	ClNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-122.01
Dipole, Da:	3.98
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-tert-butylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C(=O)OC)N.Cl

DOS

IR

Vibrations