Geometry & MOs

Info

ID:	437270
PubChem CID:	135220685
Reduced:	F2O2N5H17C23 (1)
Stoich.:	A2B2C5D17E23 (1)
Weight, g/mol:	352.133554
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	10.53
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=CC(=NC=C4)NC(=O)C5=CC(=CN=C5)F)OC1

DOS

IR

Vibrations