Geometry & MOs

Info

ID:	242529
PubChem CID:	97301870
Reduced:	ClNOC26H26 (1)
Stoich.:	ABCD26E26 (1)
Weight, g/mol:	421.298079
ΔH_f, kcal/mol:	30.51
Dipole, Da:	2.73
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(E)-1-(4-methoxyphenyl)-2-methyloct-1-enyl]phenoxy]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)/C(=C(/C3=CC=CC=C3)\Cl)/C4=CC=CC=C4

DOS

IR

Vibrations