Geometry & MOs

Info

ID:	46590
PubChem CID:	10525408
Reduced:	O5C24H38 (1)
Stoich.:	A5B24C38 (1)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	-130.44
Dipole, Da:	1.33
IP(EA), eV:	-9.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,15E)-8-methoxy-11,23-diazatetracyclo[17.7.1.07,12.023,27]heptacosa-3,7,9,11,15,19(27)-hexaen-20-one

Drug info:

PubChemData

Smile

COC(=O)C[C@@H]1CC[C@](OO1)(CCCC#C/C=C/CCCCCCCC=C)OC

DOS

IR

Vibrations