Geometry & MOs

Info

ID:	370638
PubChem CID:	127339797
Reduced:	ClFON4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	3.05
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzo[e]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=C(C4=C(N3)C=CC(=C4)F)Cl

DOS

IR

Vibrations