Geometry & MOs

Info

ID:	210624
PubChem CID:	80831941
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	3.77
IP(EA), eV:	-8.95(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-5-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)N2CCCC2)NC3CC(C3)O

DOS

IR

Vibrations