Geometry & MOs

Info

ID:	80617
PubChem CID:	49835532
Reduced:	O2F3N5C6H12 (1)
Stoich.:	A2B3C5D6E12 (1)
Weight, g/mol:	449.168161
ΔH_f, kcal/mol:	-212.9
Dipole, Da:	3.55
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methylamino]methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=N)N=C(N)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations