Geometry & MOs

Info

ID:	45373
PubChem CID:	10512246
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	200.082874
ΔH_f, kcal/mol:	-130.77
Dipole, Da:	2.6
IP(EA), eV:	-9.93(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-butan-2-yl-6-chloropyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(C)(CCC=C)O)O

DOS

IR

Vibrations