Geometry & MOs

Info

ID:	397559
PubChem CID:	135030385
Reduced:	OC23H26 (1)
Stoich.:	AB23C26 (1)
Weight, g/mol:	408.245316
ΔH_f, kcal/mol:	5.49
Dipole, Da:	2.85
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-1-heptacyclo[6.6.6.13,6.110,13.02,7.09,14.015,20]docosa-15,17,19-trienyl)-phenylmethanone

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C4(C5C6CCC(C6)C5C3C7=CC=CC=C74)C=O

DOS

IR

Vibrations