Geometry & MOs

Info

ID:

178713

PubChem CID:

76372940

Reduced:

N5O8C25H39 (1)

Stoich.:

A5B8C25D39 (1)

Weight, g/mol:

583.300599

ΔHf, kcal/mol:

-337.94

Dipole, Da:

2.38

IP(EA), eV:

 -9.32(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methoxy]-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC4=NC(=NC(=N4)N5CCOCC5)NC6CCC(CC6)O)C

DOS

IR

Vibrations