Geometry & MOs

Info

ID:

164333

PubChem CID:

74383012

Reduced:

FCl2O3N5C30H38 (1)

Stoich.:

AB2C3D5E30F38 (1)

Weight, g/mol:

447.270589

ΔHf, kcal/mol:

-168.01

Dipole, Da:

3.08

IP(EA), eV:

 -8.83(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14-benzyl-8,10,14-triazapentacyclo[7.7.0.01,13.02,7.010,12]hexadeca-2,4,6-trien-11-yl)methoxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC(C)(C)CC1C2(C(C(N1)C(=O)NCCN3CCN(CC3)CO)C4=CC(=CC=C4)Cl)C5=CC(=C(C=C5NC2=O)Cl)F

DOS

IR

Vibrations