Geometry & MOs

Info

ID:	186097
PubChem CID:	77390194
Reduced:	OF4N6C19H20 (1)
Stoich.:	AB4C6D19E20 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-177.27
Dipole, Da:	5.55
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(5-methylpyrimidin-2-yl)-6-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC1(CCCN1C2=NC(=NC=C2F)C3CNC4=C3C=CC=N4)C(=O)NCC(F)(F)F

DOS

IR

Vibrations