Geometry & MOs

Info

ID:	210477
PubChem CID:	80812341
Reduced:	ON6C13H24 (1)
Stoich.:	AB6C13D24 (1)
Weight, g/mol:	278.247047
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	3.53
IP(EA), eV:	-8.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)NCC2CCCCN2C)N

DOS

IR

Vibrations