Geometry & MOs

Info

ID:	440942
PubChem CID:	135232370
Reduced:	NH23C28 (1)
Stoich.:	AB23C28 (1)
Weight, g/mol:	358.135765
ΔH_f, kcal/mol:	151.5
Dipole, Da:	1.91
IP(EA), eV:	-7.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(17),2(10),4,6,8,11(16),14,18,20,22,24,27-dodecaene

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4=C(C=CCC4)C5=C3C=C6CC7=C(C6=C5)C=CCC7

DOS

IR

Vibrations