Geometry & MOs

Info

ID:	147601
PubChem CID:	53787257
Reduced:	O5C22H40 (1)
Stoich.:	A5B22C40 (1)
Weight, g/mol:	432.360345
ΔH_f, kcal/mol:	-292.35
Dipole, Da:	5.26
IP(EA), eV:	-10.07(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-4-hydroxyphenyl) octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(C=CC1[C@@H](C[C@@H](C1CCCCCC(=O)O)O)O)O

DOS

IR

Vibrations