Geometry & MOs

Info

ID:	314547
PubChem CID:	126622109
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	5.44
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazol-4-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OCC34CC3CC(=O)N4)C#N

DOS

IR

Vibrations