Geometry & MOs

Info

ID:	1266
PubChem CID:	4065
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	2.26
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-2-(propylamino)propyl] benzoate

Drug info:

PubChemData

Smile

CCCNC(C)(C)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations