Geometry & MOs

Info

ID:	165778
PubChem CID:	74597310
Reduced:	N2O2F3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	357.059515
ΔH_f, kcal/mol:	-180.19
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757180
Charge, e:	1

Chem-info

IUPAC name:

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+](C)CCOC2=CC=CC=C2

DOS

IR

Vibrations