Geometry & MOs

Info

ID:	393001
PubChem CID:	135018867
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	161.116427
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	3.85
IP(EA), eV:	-9.68(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-(aminomethyl)-6-methyldiazinane-4,5-diol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2[C@@]13CCC(=O)C(C3)C2(C)C

DOS

IR

Vibrations