Geometry & MOs

Info

ID:

52444

PubChem CID:

12015307

Reduced:

O4N6C41H48 (1)

Stoich.:

A4B6C41D48 (1)

Weight, g/mol:

704.498905

ΔHf, kcal/mol:

-35.47

Dipole, Da:

3.11

IP(EA), eV:

 -8.51(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,16-dihexyl-20,22-dimethyl-7,13-dimorpholin-4-yl-6,14-dioxa-3,17,24,25-tetrazatetracyclo[17.3.1.15,8.112,15]pentacosa-1(23),5(25),7,12,15(24),19,21-heptaene

Drug info:

PubChemData

Smile

C1CC2=C(OC(=N2)C(NCC3=CC(=CC=C3)CNC(C4=NC(=C(O4)N5CCOCC5)C1)CC6=CC=CC=C6)CC7=CC=CC=C7)N8CCOCC8

DOS

IR

Vibrations