Geometry & MOs

Info

ID:	197589
PubChem CID:	78980343
Reduced:	SN2O4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	336.06374
ΔH_f, kcal/mol:	-143.71
Dipole, Da:	5.82
IP(EA), eV:	-9.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1CSCC(N1C(=O)C2=CNC(=O)C=C2)C(=O)O

DOS

IR

Vibrations