Geometry & MOs

Info

ID:	292273
PubChem CID:	114801787
Reduced:	BrSO2N3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	272.113648
ΔH_f, kcal/mol:	-58.21
Dipole, Da:	7.5
IP(EA), eV:	-9.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-aminoethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC(C2)CCBr

DOS

IR

Vibrations