Geometry & MOs

Info

ID:	54116
PubChem CID:	14720281
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	209.095297
ΔH_f, kcal/mol:	-41.69
Dipole, Da:	4.8
IP(EA), eV:	-9.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-3-ylmethylamino)benzonitrile

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N(CC1=CN=CC=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations