Geometry & MOs

Info

ID:	282864
PubChem CID:	103942738
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	238.148141
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	4.93
IP(EA), eV:	-9.19(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC(C1)C(C)O)N

DOS

IR

Vibrations