Geometry & MOs

Info

ID:	400815
PubChem CID:	135049163
Reduced:	BOC26H39 (1)
Stoich.:	ABC26D39 (1)
Weight, g/mol:	428.10815
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	1.08
IP(EA), eV:	-9.18(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)C3C[C@H]4C[C@@H](C3CCOCC5=CC=CC=C5)C4(C)C

DOS

IR

Vibrations