Geometry & MOs

Info

ID:	371454
PubChem CID:	127346453
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	6.02
IP(EA), eV:	-9.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-1H-indol-3-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)CC2CCOC2

DOS

IR

Vibrations