Geometry & MOs

Info

ID:	201485
PubChem CID:	79543457
Reduced:	N5C12H25 (1)
Stoich.:	A5B12C25 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	24.98
Dipole, Da:	4.33
IP(EA), eV:	-8.86(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=C(N=N1)N)C(C)(C)C

DOS

IR

Vibrations