Geometry & MOs

Info

ID:	440844
PubChem CID:	135231835
Reduced:	N5C13H23 (2)
Stoich.:	A5B13C23 (2)
Weight, g/mol:	515.351864
ΔH_f, kcal/mol:	29.56
Dipole, Da:	4.07
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[5-[3-[3-(cyclohexylamino)propylamino]propyl]-1,3,4-thiadiazol-2-yl]methyl]-6-ethyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)NCC2=NC(=NN2)CCCNCCCNC3CCCCC3)NC4CCNCC4

DOS

IR

Vibrations