Geometry & MOs

Info

ID:	314561
PubChem CID:	126622143
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	3.99
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-oxazol-2-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@H]1CC(=O)N[C@@H]1CONC(=O)C2=C(C=C3C=NC=CC3=C2)OC(C)C

DOS

IR

Vibrations