Geometry & MOs

Info

ID:	397193
PubChem CID:	135029867
Reduced:	O3H28C29 (1)
Stoich.:	A3B28C29 (1)
Weight, g/mol:	396.20893
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	3.7
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl pentacyclo[14.3.2.27,10.14,19.113,17]pentacosa-1(19),2,4(22),7,9,13(23),14,16,24-nonaene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC2=C3CC4=C(CC2)C=CC(=C4)CCC5=CC=C(CCC1=C3)C=C5

DOS

IR

Vibrations