Geometry & MOs

Info

ID:	393064
PubChem CID:	135019181
Reduced:	NCl3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	132.089878
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	2.02
IP(EA), eV:	-9.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-3-methyldiazinane-4,5-diol

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CCC1CC(C2)(C3=CC=C(C=C3)Cl)OCC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations