Geometry & MOs

Info

ID:	170914
PubChem CID:	75300427
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	436.215764
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	2.15
IP(EA), eV:	-10.44(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-2-N-(5-phenylpyrazolidin-3-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C#CC(C(CCCO)O)O

DOS

IR

Vibrations