Geometry & MOs

Info

ID:	128194
PubChem CID:	51034466
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	4.77
Dipole, Da:	0.47
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-17-oxa-2,4,5,9,22-pentazatetracyclo[16.3.1.16,9.03,7]tricosa-1(22),2,6,18,20-pentaen-10-one

Drug info:

PubChemData

Smile

CC1(CCCOC2=CC=CC(=N2)N=C3C4=C(CN(C4)C1=O)NN3)C

DOS

IR

Vibrations