Geometry & MOs

Info

ID:	122678
PubChem CID:	50816873
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	419.197569
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	4.52
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)NCC2=CN=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations