Geometry & MOs

Info

ID:	293749
PubChem CID:	117399512
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	4.13
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCCCC2)C=C1)C3=CC(=NO3)N

DOS

IR

Vibrations