Geometry & MOs

Info

ID:	314563
PubChem CID:	126622156
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	343.13322
ΔH_f, kcal/mol:	-76.3
Dipole, Da:	4.85
IP(EA), eV:	-8.89(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1C#N)C(=CN=C2OC[C@@H]3CCC(=O)N3)C4=NC=C(N4)CO

DOS

IR

Vibrations