Geometry & MOs

Info

ID:	207137
PubChem CID:	80352309
Reduced:	BrN2S2O3C9H9 (1)
Stoich.:	AB2C2D3E9F9 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	2.45
IP(EA), eV:	-9.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NCC2=NOC=C2

DOS

IR

Vibrations