Geometry & MOs

Info

ID:	273801
PubChem CID:	103805088
Reduced:	BrOSN2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	23.13
Dipole, Da:	3.93
IP(EA), eV:	-8.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-1-[3-(methylamino)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)NC(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations