Geometry & MOs

Info

ID:	438545
PubChem CID:	135228288
Reduced:	ClO2N6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	383.114903
ΔH_f, kcal/mol:	39.85
Dipole, Da:	5.83
IP(EA), eV:	-9.51(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-chloro-5-(3,4-dihydro-2H-pyran-6-yl)-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

CC1C(OC=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)Cl)COC

DOS

IR

Vibrations