Geometry & MOs

Info

ID:	184316
PubChem CID:	77144853
Reduced:	O3N6C26H28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	452.221226
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	8.94
IP(EA), eV:	-8.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[5-[2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]pyrazolidin-3-yl]ethenyl]-1H-indole

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=CC(=C2)NC3=NC=CC(=N3)C4=CC(=C(C=C4)OC5CCOCC5)C#N)CO

DOS

IR

Vibrations