Geometry & MOs

Info

ID:	257150
PubChem CID:	103144068
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-54.97
Dipole, Da:	4.28
IP(EA), eV:	-9.56(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-isoquinolin-8-ylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC2=C1C=NC=C2)C(=O)O

DOS

IR

Vibrations