Geometry & MOs

Info

ID:	150668
PubChem CID:	53790362
Reduced:	N3O4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	160.157563
ΔH_f, kcal/mol:	-44.15
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761789
Charge, e:	0

Chem-info

IUPAC name:

1-amino-6-(dimethylamino)hexan-2-ol

Drug info:

PubChemData

Smile

C1C(O1)C[N+]2(C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations