Geometry & MOs

Info

ID:	426500
PubChem CID:	135144448
Reduced:	N5C23H29 (1)
Stoich.:	A5B23C29 (1)
Weight, g/mol:	471.245667
ΔH_f, kcal/mol:	70.95
Dipole, Da:	6.32
IP(EA), eV:	-8.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(N-ethyl-4-phenylsulfanylanilino)methyl]-6-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=C(C=C2)C#N)CNC3=CC=C(C=C3)C4CCCC4

DOS

IR

Vibrations