Geometry & MOs

Info

ID:	299723
PubChem CID:	117688866
Reduced:	O2F3N6C19H23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-173.42
Dipole, Da:	3.62
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(11,12-dioxatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaen-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCOC1)C2=NC(=NC(=C2)C3=CC(=C(N=C3)N)OC(F)F)N4CC[C@H](C4)F

DOS

IR

Vibrations