Geometry & MOs

Info

ID:	208573
PubChem CID:	80546563
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	307.181526
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	4.68
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CN1C2=C(C=CC=C2C(=O)C1=O)C

DOS

IR

Vibrations