Geometry & MOs

Info

ID:	186325
PubChem CID:	77421225
Reduced:	O7C27H30 (1)
Stoich.:	A7B27C30 (1)
Weight, g/mol:	452.219889
ΔH_f, kcal/mol:	-290.63
Dipole, Da:	3.01
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]-4-(4-phenylphenyl)butanoate

Drug info:

PubChemData

Smile

CC1(OC(=O)C(C(=O)O1)C(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)OC(C)(C)C)C

DOS

IR

Vibrations