Geometry & MOs

Info

ID:	137936
PubChem CID:	52287479
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	413.12681
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	8.08
IP(EA), eV:	-8.77(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropyl-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)C)C)C(=O)N(C)CC2=CC=CC=C2N3CCCC3

DOS

IR

Vibrations