Geometry & MOs

Info

ID:	292429
PubChem CID:	115001351
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	2.65
IP(EA), eV:	-9.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxy-1-(2-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCCCOCCC(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations