Geometry & MOs

Info

ID:	242528
PubChem CID:	97301865
Reduced:	ClN2O2C26H29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	403.170292
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	3.85
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

C[C@@](C1=CC=CC=C1Cl)([C@H](C2=CC=C(C=C2)OCCN3CCCC3)C4=CC=CC=N4)O

DOS

IR

Vibrations