Geometry & MOs

Info

ID:	257146
PubChem CID:	103144055
Reduced:	ClOSN2C11H17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	251.075785
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	3.19
IP(EA), eV:	-8.28(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-difluoro-2-isoquinolin-8-ylacetate

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=NC=C(N2C)CCl

DOS

IR

Vibrations