Geometry & MOs

Info

ID:	271395
PubChem CID:	103673907
Reduced:	ClSN3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	289.147807
ΔH_f, kcal/mol:	56.43
Dipole, Da:	2.31
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-N-[(2-fluoro-5-methylphenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNCC2=CC=C(S2)Cl

DOS

IR

Vibrations