Geometry & MOs

Info

ID:	206005
PubChem CID:	80187959
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	279.199843
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	4.77
IP(EA), eV:	-9.17(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-diethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)CCC(C2=CC(=CC=C2)Br)O)C

DOS

IR

Vibrations