Geometry & MOs

Info

ID:	54243
PubChem CID:	16956379
Reduced:	ClOF3N6H22C27 (1)
Stoich.:	ABC3D6E22F27 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	7.74
IP(EA), eV:	-8.29(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(N=NN4C5=C3C=C(C=C5)Cl)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations