Geometry & MOs

Info

ID:	375629
PubChem CID:	134214187
Reduced:	FN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	-102.81
Dipole, Da:	5.37
IP(EA), eV:	-8.87(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1S,2R,5R,6R)-6-fluoro-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](NC(=O)[C@H]1F)CCOC2=NC=CC3=CC(=C(C=C32)OC)C#N

DOS

IR

Vibrations