Geometry & MOs

Info

ID:	210433
PubChem CID:	80806588
Reduced:	ClN5C9H12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	221.073517
ΔH_f, kcal/mol:	54.16
Dipole, Da:	4.56
IP(EA), eV:	-8.91(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCN(CCC#N)C1=NC(=NC=C1Cl)N

DOS

IR

Vibrations