Geometry & MOs

Info

ID:	406017
PubChem CID:	135076308
Reduced:	OH16C19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	36.48
Dipole, Da:	2.3
IP(EA), eV:	-8.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenylmethoxy-1-propoxypentan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C(=C1)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations