Geometry & MOs

Info

ID:	442457
PubChem CID:	135252151
Reduced:	FC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	387.066221
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	2.12
IP(EA), eV:	-8.78(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3-phenyl-9H-[1,2]dioxino[3,4-b]indol-4-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCC1=C2CCCC2=C(C3=C1CCC3)F

DOS

IR

Vibrations