Geometry & MOs

Info

ID:	83878
PubChem CID:	49862132
Reduced:	F2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	376.135782
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	4.26
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C(=C2C(=C1F)N=C(N=C2N)N)F)C#N

DOS

IR

Vibrations