Geometry & MOs

Info

ID:	397228
PubChem CID:	135029913
Reduced:	O2F3N3C16H20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	5.05
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dibenzyl-2-nitro-5a,7,8,9-tetrahydropyrido[2,1-b][1,3]benzoxazin-11-one

Drug info:

PubChemData

Smile

C1COCCN1C(=NC2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations