Geometry & MOs

Info

ID:	37577
PubChem CID:	8022399
Reduced:	N2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	180.102454
ΔH_f, kcal/mol:	107.69
Dipole, Da:	23.71
IP(EA), eV:	-4.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)[NH2+]CC2=CC=CC=C2

DOS

IR

Vibrations