Geometry & MOs

Info

ID:	40601
PubChem CID:	8144401
Reduced:	SO2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	407.162521
ΔH_f, kcal/mol:	40.91
Dipole, Da:	0.71
IP(EA), eV:	-8.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(Z)-(3-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)C5=CC=CC=C5

DOS

IR

Vibrations