Geometry & MOs

Info

ID:	205145
PubChem CID:	80060572
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	4.29
IP(EA), eV:	-9.31(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(6-methoxypyridin-3-yl)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(C1CCCC(C1)S(=O)(=O)C)N

DOS

IR

Vibrations