Geometry & MOs

Info

ID:	381463
PubChem CID:	134972214
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	1.92
IP(EA), eV:	-7.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H]([C@](CC(=O)C2C3=COC4=C([C@H]3C1(C)C)C=CC(=C4)O)(C)O)O

DOS

IR

Vibrations