Geometry & MOs

Info

ID:	171866
PubChem CID:	75435291
Reduced:	F2N3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	3.84
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpyrazol-4-yl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C=C(C=C1)F)F)NC(=O)C2=CC3=NC=CN3C=C2

DOS

IR

Vibrations