Geometry & MOs

Info

ID:	76055
PubChem CID:	48424365
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	291.163457
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	4.61
IP(EA), eV:	-9.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=CC=C(C=C2)Br)OCC3CC3

DOS

IR

Vibrations