Geometry & MOs

Info

ID:	218107
PubChem CID:	85088893
Reduced:	O2C14H15 (2)
Stoich.:	A2B14C15 (2)
Weight, g/mol:	430.250795
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	1.62
IP(EA), eV:	-9.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-benzyl-4-(hydroxymethyl)-5-(4-phenylphenyl)pentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C=CC(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations