Geometry & MOs

Info

ID:	397554
PubChem CID:	135030378
Reduced:	ClNO6C25H26 (1)
Stoich.:	ABC6D25E26 (1)
Weight, g/mol:	408.172545
ΔH_f, kcal/mol:	-227.81
Dipole, Da:	1.27
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoylhexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-11,15,17,19-tetraene-10,13-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C=CC(=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)OCC)C)Cl

DOS

IR

Vibrations