Geometry & MOs

Info

ID:	292461
PubChem CID:	115001461
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-56.89
Dipole, Da:	4.3
IP(EA), eV:	-8.86(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutoxy)-1-pyrimidin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC(=CC=C1)OCC(C)C(=N)N

DOS

IR

Vibrations