Geometry & MOs

Info

ID:	81985
PubChem CID:	49855441
Reduced:	NO5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	184.934935
ΔH_f, kcal/mol:	-249.62
Dipole, Da:	5.65
IP(EA), eV:	-9.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O.C(N(CO)CO)O

DOS

IR

Vibrations