Geometry & MOs

Info

ID:	291752
PubChem CID:	113468420
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	3.57
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1S)-1-aminopropyl]-N-ethylanilino]propan-1-ol

Drug info:

PubChemData

Smile

COCCN(CCN)C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations