Geometry & MOs

Info

ID:	210602
PubChem CID:	80829491
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	288.231397
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	1.49
IP(EA), eV:	-8.18(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-dicyclopropylethyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC=C1)NC2CCCOC2

DOS

IR

Vibrations