Geometry & MOs

Info

ID:	397558
PubChem CID:	135030384
Reduced:	OC26H30 (1)
Stoich.:	AB26C30 (1)
Weight, g/mol:	318.198365
ΔH_f, kcal/mol:	9.08
Dipole, Da:	2.96
IP(EA), eV:	-9.16(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[6.6.6.13,6.110,13.02,7.09,14.015,20]docosa-15,17,19-triene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1CC1C(=O)C23C4C5CCC(C5)C4C(C6C2C7CCC6C7)C8=CC=CC=C38

DOS

IR

Vibrations