Geometry & MOs

Info

ID:	5007
PubChem CID:	12428
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	2.38
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-yl] benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations