Geometry & MOs

Info

ID:	275764
PubChem CID:	103817477
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	2.25
IP(EA), eV:	-8.58(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-(4-methylazepan-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)N2CCN(CC2)C3CCCC3)N

DOS

IR

Vibrations