Geometry & MOs

Info

ID:	195519
PubChem CID:	78695032
Reduced:	OSN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	287.155966
ΔH_f, kcal/mol:	16.51
Dipole, Da:	4.51
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)C(=CC3=C(C=C(C=C3)C)C)NC2=S

DOS

IR

Vibrations