Geometry & MOs

Info

ID:	222440
PubChem CID:	85300743
Reduced:	BrO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	329.091275
ΔH_f, kcal/mol:	-77.5
Dipole, Da:	4.72
IP(EA), eV:	-9.95(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methyl-2H-[1,3,4]oxadiazino[6,5-b]indol-3-ylidene)-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC1CCCC2C1(CC(C2)(C(OC)OCC#C)Br)C

DOS

IR

Vibrations