Geometry & MOs

Info

ID:

297528

PubChem CID:

117620000

Reduced:

NOH43C46 (1)

Stoich.:

ABC43D46 (1)

Weight, g/mol:

412.182715

ΔHf, kcal/mol:

47.04

Dipole, Da:

4.04

IP(EA), eV:

 -7.86(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23,23-dimethyl-9-oxaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1,3,5,7,12(29),13,15(30),16(24),17,19,21,27-dodecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(C)(C)C)C4=C2C=C5C=CC6=C7C5=C4C=CC7=CC8=C6C9=C(O8)C=CC(=C9)C(C)(C)C

DOS

IR

Vibrations