Geometry & MOs

Info

ID:	296413
PubChem CID:	117573102
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	2.06
IP(EA), eV:	-8.18(2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(hydroxymethyl)butylamino]benzoate

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)CC)CO

DOS

IR

Vibrations