Geometry & MOs

Info

ID:	4101
PubChem CID:	10767
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	1.19
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-2-methylbutan-2-yl] benzoate

Drug info:

PubChemData

Smile

CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations