Geometry & MOs

Info

ID:

47009

PubChem CID:

10528917

Reduced:

Cl2N2O3C23H26 (1)

Stoich.:

A2B2C3D23E26 (1)

Weight, g/mol:

485.22339

ΔHf, kcal/mol:

-69.57

Dipole, Da:

3.8

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(6-tert-butyl-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CCON=C(C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations