Geometry & MOs

Info

ID:	28647
PubChem CID:	828773
Reduced:	OF2N2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	197.084064
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	5.8
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxybenzo[cd]indole

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations