Geometry & MOs

Info

ID:	445018
PubChem CID:	135264274
Reduced:	NO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	325.050571
ΔH_f, kcal/mol:	-50.53
Dipole, Da:	5.08
IP(EA), eV:	-9.02(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2C(=C(OO3)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations