Geometry & MOs

Info

ID:	438442
PubChem CID:	135228183
Reduced:	NO2F3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	389.04874
ΔH_f, kcal/mol:	-217.39
Dipole, Da:	2.92
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-15-methoxy-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CCN1CC(F)(F)F

DOS

IR

Vibrations