Geometry & MOs

Info

ID:	430087
PubChem CID:	135170144
Reduced:	NOC10H18 (2)
Stoich.:	ABC10D18 (2)
Weight, g/mol:	364.171769
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	4.46
IP(EA), eV:	-8.72(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-chloro-3-(fluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]methylidene]-6-pyrrolidin-1-ylhex-1-en-2-ol

Drug info:

PubChemData

Smile

CCCC(CC)C1CCN(CC1)C2CC3(C2)CCN(C3)C(=O)OC

DOS

IR

Vibrations