Geometry & MOs

Info

ID:	128193
PubChem CID:	51034465
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	48.53
Dipole, Da:	3.24
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-15-oxa-2,4,5,9,20-pentazatetracyclo[14.3.1.16,9.03,7]henicosa-1(20),2,6,16,18-pentaen-10-one

Drug info:

PubChemData

Smile

CC1(CCCCC2=NC(=CC=C2)/N=C/3\C4=C(CN(C4)C1=O)NN3)C

DOS

IR

Vibrations