Geometry & MOs

Info

ID:	433716
PubChem CID:	135173856
Reduced:	ClN8C39H39 (1)
Stoich.:	AB8C39D39 (1)
Weight, g/mol:	456.252526
ΔH_f, kcal/mol:	146.87
Dipole, Da:	5.26
IP(EA), eV:	-8.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-piperidin-4-yloxycyclohexyl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)Cl

DOS

IR

Vibrations