Geometry & MOs

Info

ID:	290831
PubChem CID:	111123621
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	2.82
Dipole, Da:	5.53
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(CN2C=CN=C2C3=CC=CS3)O

DOS

IR

Vibrations