Geometry & MOs

Info

ID:	281179
PubChem CID:	103911271
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	343.02416
ΔH_f, kcal/mol:	-80.71
Dipole, Da:	3.2
IP(EA), eV:	-9.07(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CC1CC(CCO1)NC(COC)C2=CC=CC=C2

DOS

IR

Vibrations