Geometry & MOs

Info

ID:

444227

PubChem CID:

135261803

Reduced:

ClO6N8C44H45 (1)

Stoich.:

AB6C8D44E45 (1)

Weight, g/mol:

319.214744

ΔHf, kcal/mol:

-92.51

Dipole, Da:

4.41

IP(EA), eV:

 -8.88(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6,6-dimethyl-3-oxa-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4-diene-12-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)CCCCCOC5=CC6=C(C=C5)C(=O)N(C6=O)C7=CC=C(NC7=O)C#N)C

DOS

IR

Vibrations