Geometry & MOs

Info

ID:	73713
PubChem CID:	48420074
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	322.095357
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	3.92
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-7-yl 2-(4-carbamoylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C=CN=C2)NC(=O)OC

DOS

IR

Vibrations