Geometry & MOs

Info

ID:	8387
PubChem CID:	76994
Reduced:	O3C31H46 (1)
Stoich.:	A3B31C46 (1)
Weight, g/mol:	466.344695
ΔH_f, kcal/mol:	-149.14
Dipole, Da:	5.24
IP(EA), eV:	-9.32(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-octadecoxyphenyl)-phenylmethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations