Geometry & MOs

Info

ID:	226913
PubChem CID:	87558917
Reduced:	O3N4C33H40 (1)
Stoich.:	A3B4C33D40 (1)
Weight, g/mol:	121.073893
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	3.36
IP(EA), eV:	-8.23(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-aminobutane-1,1,4-triol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3OC)/C=C/C(=O)C4=C(C=C(C=C4)OC)N5CCN(CC5)C

DOS

IR

Vibrations