Geometry & MOs

Info

ID:	441358
PubChem CID:	135234328
Reduced:	NOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	25.74
Dipole, Da:	2.54
IP(EA), eV:	-8.29(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-ditert-butyl-4-hydroxyphenyl) 2-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CN2)C3=CC=C(C=C3)O

DOS

IR

Vibrations