Geometry & MOs

Info

ID:	20952
PubChem CID:	586345
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	3.55
IP(EA), eV:	-8.85(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations