Geometry & MOs

Info

ID:	370668
PubChem CID:	127339830
Reduced:	FO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	5.46
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-1H-indol-3-yl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC(=O)NC4=C3C=C(C=C4)F

DOS

IR

Vibrations