Geometry & MOs

Info

ID:	443910
PubChem CID:	135260387
Reduced:	IN4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	56.54
Dipole, Da:	1.79
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CC=C1)C2=NC(=NC(=C2I)C)N

DOS

IR

Vibrations