Geometry & MOs

Info

ID:

51476

PubChem CID:

12014153

Reduced:

N7C39H49 (1)

Stoich.:

A7B39C49 (1)

Weight, g/mol:

337.226646

ΔHf, kcal/mol:

88.36

Dipole, Da:

3.19

IP(EA), eV:

 -8.88(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]guanidine

Drug info:

PubChemData

Smile

CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)NC(=N[C@@H]([C@H]5C[C@@H]6CCN5C[C@@H]6CC)C7=CC=NC8=CC=CC=C78)N

DOS

IR

Vibrations