Geometry & MOs

Info

ID:	375640
PubChem CID:	134214224
Reduced:	NO2C7H9 (3)
Stoich.:	AB2C7D9 (3)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	-221.97
Dipole, Da:	3.79
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1R,2R,5S)-5-fluoro-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OC[C@@H]3C[C@H](C(=O)N3)CCCOCCO)C(=O)N

DOS

IR

Vibrations