Geometry & MOs

Info

ID:	227971
PubChem CID:	87563150
Reduced:	OC3N4H8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	396.140469
ΔH_f, kcal/mol:	-1.37
Dipole, Da:	2.74
IP(EA), eV:	-9.27(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[6-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-3-phenylpropanal;hydrochloride

Drug info:

PubChemData

Smile

C1NC(NN1)NC=O

DOS

IR

Vibrations