Geometry & MOs

Info

ID:	284070
PubChem CID:	104032761
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	231.117176
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	9.36
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-fluorophenyl)methyl]-4-N-methylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1)NC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations