Geometry & MOs

Info

ID:	438514
PubChem CID:	135228256
Reduced:	BrO3N5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	368.078851
ΔH_f, kcal/mol:	-34.3
Dipole, Da:	6.02
IP(EA), eV:	-8.81(-0.77)
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]-1,3-oxazole

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/1\CC2=C(N=CN2C3=C(N1N)C=C(C=C3)OC)Br)/N

DOS

IR

Vibrations