Geometry & MOs

Info

ID:	287971
PubChem CID:	104303110
Reduced:	BrClN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	36.86
Dipole, Da:	6.65
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)butan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=C(N2C(C)C)CBr)Cl

DOS

IR

Vibrations