Geometry & MOs

Info

ID:	163987
PubChem CID:	74381282
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	486.152575
ΔH_f, kcal/mol:	70.84
Dipole, Da:	7.43
IP(EA), eV:	-9.38(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1C=CC2=NC(=O)C3=CN=C(N3C2=C1)N4CCCC4

DOS

IR

Vibrations