Geometry & MOs

Info

ID:	216123
PubChem CID:	85085760
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	230.188195
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	2.09
IP(EA), eV:	-9.33(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-hydroxyethyl)heptanoate

Drug info:

PubChemData

Smile

CC1CCC(=CC2=CC=CC=C2)C1C(=O)OC

DOS

IR

Vibrations