Geometry & MOs

Info

ID:	395271
PubChem CID:	135025053
Reduced:	O5H28C32 (1)
Stoich.:	A5B28C32 (1)
Weight, g/mol:	492.193674
ΔH_f, kcal/mol:	-75.04
Dipole, Da:	2.75
IP(EA), eV:	-8.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,14-dimethoxy-10-methyl-5,13-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=CC(=C(C=C2C3=CC(=C(C=C13)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC

DOS

IR

Vibrations