Geometry & MOs

Info

ID:	443911
PubChem CID:	135260404
Reduced:	ON4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	2.4
IP(EA), eV:	-8.4(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCNC1=NC(=NC(=C1CCC(C)(C)O)C)N

DOS

IR

Vibrations