Geometry & MOs

Info

ID:	395881
PubChem CID:	135026825
Reduced:	SN4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	478.236876
ΔH_f, kcal/mol:	111.14
Dipole, Da:	5.7
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylamino)-4-[[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)NC(=S)NCC5C=CC=C5

DOS

IR

Vibrations