Geometry & MOs

Info

ID:	375613
PubChem CID:	134214110
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	12.4
Dipole, Da:	3.06
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC=NC(=C1)C2=CN=C(N=C2)N(C)C3CCN(CC3)C(=O)C

DOS

IR

Vibrations