Geometry & MOs

Info

ID:	305200
PubChem CID:	124767519
Reduced:	FN2O2H19C23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	374.143056
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	1.82
IP(EA), eV:	-8.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,10bS)-5-(2-fluorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3[C@H](C2)C4=CC=CC=C4O[C@H]3C5=CC=CC=C5F

DOS

IR

Vibrations