Geometry & MOs

Info

ID:	210028
PubChem CID:	80752471
Reduced:	ClON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	243.11384
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	4.16
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxypyrimidin-4-yl)-N-methylpentan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=NC(=NC=C1Cl)OC)C(C)C

DOS

IR

Vibrations