Geometry & MOs

Info

ID:	133798
PubChem CID:	51590001
Reduced:	ON3C18H30 (1)
Stoich.:	AB3C18D30 (1)
Weight, g/mol:	165.139174
ΔH_f, kcal/mol:	8.01
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753056
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-2-amino-2-phenylbutyl]azanium

Drug info:

PubChemData

Smile

CN1CC[NH+](CC1)C2CCN(CC2)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations