Geometry & MOs

Info

ID:	51475
PubChem CID:	12014152
Reduced:	N3C25H25 (1)
Stoich.:	A3B25C25 (1)
Weight, g/mol:	615.404945
ΔH_f, kcal/mol:	85.5
Dipole, Da:	1.89
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=N[C@H](C)C3=CC4=CC=CC=C4C=C3)N

DOS

IR

Vibrations