Geometry & MOs

Info

ID:	285530
PubChem CID:	104110171
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	257.12949
ΔH_f, kcal/mol:	43.06
Dipole, Da:	4.44
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CC(C)Br)NC1=NN=CC2=CC=CC=C21

DOS

IR

Vibrations