Geometry & MOs

Info

ID:	375642
PubChem CID:	134214228
Reduced:	FN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	359.128134
ΔH_f, kcal/mol:	-174.22
Dipole, Da:	2.49
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S,5S)-6-(fluoromethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(=O)N)N=C)/C(=C\C)/OC[C@@H]2C[C@](C(=O)N2)(C)F

DOS

IR

Vibrations