Geometry & MOs

Info

ID:	233513
PubChem CID:	91145133
Reduced:	O3N6H28C31 (1)
Stoich.:	A3B6C28D31 (1)
Weight, g/mol:	292.236208
ΔH_f, kcal/mol:	27.61
Dipole, Da:	5.3
IP(EA), eV:	-8.83(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-amino-1,3-dihydroxypropan-2-yl)-butylamino]heptane-1,3-diol

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=C(C=NN3C(=C2C=O)N)C4=CN=C(C=C4)C5=CC=CC=C5)C(=O)C(C6=CC=CC=C6)O

DOS

IR

Vibrations