Geometry & MOs

Info

ID:	314560
PubChem CID:	126622142
Reduced:	FN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-145.87
Dipole, Da:	4.24
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,3R)-3-ethyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OCC3C4(CC4)C(C(=O)N3)F)C(=O)N

DOS

IR

Vibrations