Geometry & MOs

Info

ID:	210646
PubChem CID:	80833713
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	12.29
Dipole, Da:	3.15
IP(EA), eV:	-8.41(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C2=NC(=NC(=C2)N)N

DOS

IR

Vibrations