Geometry & MOs

Info

ID:	375628
PubChem CID:	134214182
Reduced:	FN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	357.14887
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	4.78
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]ethoxy]-7-methoxyisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1C(=O)N)OCC[C@@H]3[C@H]4C[C@]4(C(=O)N3)F

DOS

IR

Vibrations