Geometry & MOs

Info

ID:	259382
PubChem CID:	103164917
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	3.71
IP(EA), eV:	-8.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-cyclobutylethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NC2=CN=C(C=C2)N

DOS

IR

Vibrations