Geometry & MOs

Info

ID:	399800
PubChem CID:	135042795
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	144.059389
ΔH_f, kcal/mol:	-157.87
Dipole, Da:	4.36
IP(EA), eV:	-9.45(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCO[C@H](C1=CC=CC=C1)[C@H]([C@H]2CCCC2=O)O

DOS

IR

Vibrations