Geometry & MOs

Info

ID:	278982
PubChem CID:	103840272
Reduced:	BrClNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	283.139528
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	4.84
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CN(CC1(CCCC1)O)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations