Geometry & MOs

Info

ID:	332283
PubChem CID:	127250569
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	27.43
Dipole, Da:	7.09
IP(EA), eV:	-8.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=CC=CC(=N4)C5=CN=CN=C5

DOS

IR

Vibrations