Geometry & MOs

Info

ID:	389052
PubChem CID:	134990996
Reduced:	O7C26H34 (1)
Stoich.:	A7B26C34 (1)
Weight, g/mol:	369.201219
ΔH_f, kcal/mol:	-335.73
Dipole, Da:	4.57
IP(EA), eV:	-10.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-methylhexan-2-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@]23CCC(=O)O3)[C@H]4[C@H]1[C@]5(CCC(=O)C=C5C[C@@H]4C(=O)OC)C)C

DOS

IR

Vibrations