Geometry & MOs

Info

ID:	435947
PubChem CID:	135192931
Reduced:	ClIF2O2N5C21H21 (1)
Stoich.:	ABC2D2E5F21G21 (1)
Weight, g/mol:	300.126263
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	3.37
IP(EA), eV:	-9.05(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-aminophenyl)phenyl]-3H-indol-2-one

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N2C(=NN=C2N3CC[C@](C3)(C4=C(C=C(C=C4)F)Cl)I)COCCF

DOS

IR

Vibrations