Geometry & MOs

Info

ID:	437269
PubChem CID:	135220684
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	433.135031
ΔH_f, kcal/mol:	-121.23
Dipole, Da:	5.91
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(N=C(C=C2)C3CC4CCC(C3)N4C(=O)O)N(C1=O)C

DOS

IR

Vibrations