Geometry & MOs

Info

ID:	39131
PubChem CID:	8139757
Reduced:	ClFON2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	334.124819
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.009161
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations