Geometry & MOs

Info

ID:	395270
PubChem CID:	135025052
Reduced:	O5H12C18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	492.193674
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	4.23
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CC3=C(C=C2C4=CC5=C(C=C14)OCO5)OCO3

DOS

IR

Vibrations