Geometry & MOs

Info

ID:	44055
PubChem CID:	10500623
Reduced:	N2O3C23H38 (1)
Stoich.:	A2B3C23D38 (1)
Weight, g/mol:	390.234751
ΔH_f, kcal/mol:	-135.18
Dipole, Da:	4.19
IP(EA), eV:	-8.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[20.2.2.26,9.214,17.02,21.05,10.013,18]triaconta-2(21),5(10),13(18)-trien-3,11,19-triyne

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=CC=C1NC(=O)O[C@H]2CCCC[C@@H]2CN(C)C

DOS

IR

Vibrations