Geometry & MOs

Info

ID:	430040
PubChem CID:	135170097
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-161.93
Dipole, Da:	4.28
IP(EA), eV:	-9.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-hydroxybutyl)phenyl] 2,4-dimethyl-2-propan-2-ylpentanoate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC(=O)C(C)(CC(C)C)C(C)C)O

DOS

IR

Vibrations