Geometry & MOs

Info

ID:	409729
PubChem CID:	135082514
Reduced:	NO7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	490.036496
ΔH_f, kcal/mol:	-318.5
Dipole, Da:	5.22
IP(EA), eV:	-9.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1CC(=C)O[C@@]1([C@H]2[C@H]([C@@H](OCO2)C3CC(=O)NC(=O)C3)O)O

DOS

IR

Vibrations