Geometry & MOs

Info

ID:	294485
PubChem CID:	117463757
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	2.12
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-tert-butylisoquinolin-7-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CNCC(C1=C(C(=CC=C1)OCC2=CC=CC=C2)OC)O

DOS

IR

Vibrations