Geometry & MOs

Info

ID:	43720
PubChem CID:	10321695
Reduced:	NO3C29H43 (1)
Stoich.:	AB3C29D43 (1)
Weight, g/mol:	453.303165
ΔH_f, kcal/mol:	-157.88
Dipole, Da:	4.71
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(Z)-1-(4-butylphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)C(=O)NC2=CC=CC(=C2)CO

DOS

IR

Vibrations