Geometry & MOs

Info

ID:	417902
PubChem CID:	135103037
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	2.55
Dipole, Da:	2.17
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-14,23-dioxa-3,6,9,18,19,20-hexazapentacyclo[22.2.2.23,6.118,21.08,13]hentriaconta-1(26),8(13),9,11,19,21(29),24,27-octaen-7-one

Drug info:

PubChemData

Smile

CC1=NNN=C1C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations