Geometry & MOs

Info

ID:	221192
PubChem CID:	85257198
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	294.140851
ΔH_f, kcal/mol:	-198.16
Dipole, Da:	2.77
IP(EA), eV:	-9.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[14.6.1.02,15.04,13.06,11.017,22]tricosa-2,4,6,8,10,12,14,18,20-nonaene

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OC1=CC(=O)C2(C(CCCC2C1)C)C

DOS

IR

Vibrations