Geometry & MOs

Info

ID:	292428
PubChem CID:	115001344
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	1.43
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxy-1-(4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1CC1NC2C3=C(C=CC(=C3)F)NC2=O

DOS

IR

Vibrations