Geometry & MOs

Info

ID:	445982
PubChem CID:	135271001
Reduced:	N2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	294.241962
ΔH_f, kcal/mol:	2.8
Dipole, Da:	2.63
IP(EA), eV:	-8.48(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylhexan-2-ol

Drug info:

PubChemData

Smile

CCCCNC1=NC(=NC(=C1C)C)N

DOS

IR

Vibrations