Geometry & MOs

Info

ID:	210434
PubChem CID:	80807532
Reduced:	SN5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	277.226646
ΔH_f, kcal/mol:	74.48
Dipole, Da:	2.29
IP(EA), eV:	-9.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)NCC2=NC=CS2

DOS

IR

Vibrations