Geometry & MOs

Info

ID:	438503
PubChem CID:	135228245
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	370.094501
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	1.7
IP(EA), eV:	-9.2(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[17-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=N[C@H](CO1)C2=CC=CC=C2OC

DOS

IR

Vibrations