Geometry & MOs

Info

ID:

149096

PubChem CID:

53788767

Reduced:

ClON2C27H27 (1)

Stoich.:

ABC2D27E27 (1)

Weight, g/mol:

430.181191

ΔHf, kcal/mol:

40.91

Dipole, Da:

4.21

IP(EA), eV:

 -8.9(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-[1-[[(1R,8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol

Drug info:

PubChemData

Smile

C1CN(CCC1C(C2=CN=CC=C2)O)C[C@@]34C[C@@H](C5=C3C=C(C=C5)Cl)C6=CC=CC=C46

DOS

IR

Vibrations