Geometry & MOs

Info

ID:	391955
PubChem CID:	135011384
Reduced:	NOPPdC28H39 (1)
Stoich.:	ABCDE28F39 (1)
Weight, g/mol:	159.162314
ΔH_f, kcal/mol:	97.77
Dipole, Da:	10.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.946739
Charge, e:	0

Chem-info

IUPAC name:

4-(tert-butylamino)pentan-2-ol

Drug info:

PubChemData

Smile

[CH3-].CC(CC(C)O)[N-]C(C)(C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

DOS

IR

Vibrations