Geometry & MOs

Info

ID:	64467
PubChem CID:	29200951
Reduced:	BrFSN2O4C18H18 (1)
Stoich.:	ABCD2E4F18G18 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-148.64
Dipole, Da:	6.07
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations