Geometry & MOs

Info

ID:	397137
PubChem CID:	135029778
Reduced:	O3H20C25 (1)
Stoich.:	A3B20C25 (1)
Weight, g/mol:	380.17763
ΔH_f, kcal/mol:	10.45
Dipole, Da:	7.02
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetylpentacyclo[14.3.2.27,10.14,19.113,17]pentacosa-1(19),2,4(22),7,9,13(23),14,16,24-nonaen-18-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C#CC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations