Geometry & MOs

Info

ID:	10700
PubChem CID:	106896
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	5.35
IP(EA), eV:	-9.23(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dimethylhexoxy)-2-hydroxyphenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)CC(C)CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations