Geometry & MOs

Info

ID:	210621
PubChem CID:	80831338
Reduced:	N7C13H19 (1)
Stoich.:	A7B13C19 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	60.81
Dipole, Da:	6.67
IP(EA), eV:	-8.84(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)N)N2CCN3C=CN=C3C2

DOS

IR

Vibrations