Geometry & MOs

Info

ID:	210626
PubChem CID:	80831943
Reduced:	SN5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	12.94
Dipole, Da:	3.61
IP(EA), eV:	-8.44(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,6-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)NCCN2CCCC2

DOS

IR

Vibrations