Geometry & MOs

Info

ID:	394546
PubChem CID:	135023166
Reduced:	O2C23H28 (1)
Stoich.:	A2B23C28 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-88.25
Dipole, Da:	4.13
IP(EA), eV:	-9.23(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CCC2=O)CCC4=C3C5CC(=O)C4C6C5CC=C6

DOS

IR

Vibrations