Geometry & MOs

Info

ID:	210027
PubChem CID:	80752470
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	271.14514
ΔH_f, kcal/mol:	-110.15
Dipole, Da:	2.97
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxypyrimidin-4-yl)-3-methyl-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N)OC2=C(C=C(C=C2)C(=O)N)OC

DOS

IR

Vibrations