Geometry & MOs

Info

ID:	370637
PubChem CID:	127339793
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	374.130967
ΔH_f, kcal/mol:	36.3
Dipole, Da:	3.13
IP(EA), eV:	-9.19(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-fluoro-1H-indol-2-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations