Geometry & MOs

Info

ID:	383130
PubChem CID:	134974689
Reduced:	N3O4H17C20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	564.251189
ΔH_f, kcal/mol:	-94.02
Dipole, Da:	5.12
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

21,28-diphenyl-2,5,8,11,14,17-hexaoxatetracyclo[16.12.0.020,29.022,27]triaconta-1(30),18,20,22,24,26,28-heptaene

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)O)N=C3[C@H]4CCCN4C(=O)C5=CC=CC=C5N3C2=O

DOS

IR

Vibrations