Geometry & MOs

Info

ID:	407880
PubChem CID:	135080635
Reduced:	PC7O8H13 (1)
Stoich.:	AB7C8D13 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-303.13
Dipole, Da:	3.73
IP(EA), eV:	-10.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-(cyclohexylamino)-3-methylbutanedioate

Drug info:

PubChemData

Smile

CCC(=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O

DOS

IR

Vibrations