Geometry & MOs

Info

ID:	438487
PubChem CID:	135228229
Reduced:	ClO2N7H14C17 (1)
Stoich.:	AB2C7D14E17 (1)
Weight, g/mol:	368.078851
ΔH_f, kcal/mol:	87.55
Dipole, Da:	3.99
IP(EA), eV:	-9.75(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[16-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]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=C(C=C5)Cl)COC

DOS

IR

Vibrations