Geometry & MOs

Info

ID:	164694
PubChem CID:	74440226
Reduced:	O4C21H24 (1)
Stoich.:	A4B21C24 (1)
Weight, g/mol:	2475.531912
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	3.25
IP(EA), eV:	-9.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC12CC=C3COC(CC3C1C(C(=CC2=O)OC)O)C4=CC=CC=C4

DOS

IR

Vibrations