Geometry & MOs

Info

ID:	416267
PubChem CID:	135089279
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-134.6
Dipole, Da:	4.92
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-8-oxa-1,12,13,14,19-pentazatetracyclo[19.2.2.13,7.112,15]heptacosa-3(27),4,6,13,15(26)-pentaene-2,18-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations