Geometry & MOs

Info

ID:	200625
PubChem CID:	79416987
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	3.19
IP(EA), eV:	-8.59(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(2-pyridin-3-ylethyl)pentan-2-one

Drug info:

PubChemData

Smile

CC(C)C(CCC1=CC=C(C=C1)OC)C(=O)C

DOS

IR

Vibrations