Geometry & MOs

Info

ID:	185558
PubChem CID:	77314400
Reduced:	ClN5C20H20 (1)
Stoich.:	AB5C20D20 (1)
Weight, g/mol:	408.209616
ΔH_f, kcal/mol:	112.92
Dipole, Da:	5.29
IP(EA), eV:	-7.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[amino-(4-phenyl-3H-1,3-thiazol-2-ylidene)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C=C(C1=CC(=CC=C1)Cl)NC2=NC=CC2=C(N)NCCC3=CC=CC=N3

DOS

IR

Vibrations