Geometry & MOs

Info

ID:	402014
PubChem CID:	135053870
Reduced:	ClNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	383.05209
ΔH_f, kcal/mol:	-26.92
Dipole, Da:	4.77
IP(EA), eV:	-8.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-(9-methyl-3,4-dihydro-1H-pyrano[3,4-b]indol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1C2=C(C(COC2)CC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C41

DOS

IR

Vibrations