Geometry & MOs

Info

ID:	263185
PubChem CID:	103344156
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	305.98223
ΔH_f, kcal/mol:	-91.44
Dipole, Da:	6.39
IP(EA), eV:	-9.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-5-fluorophenyl)methyl]-5-chloropentan-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CC(CCCl)C(=O)C

DOS

IR

Vibrations