Geometry & MOs

Info

ID:	394662
PubChem CID:	135023454
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	409.204179
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	4.19
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-2-[2-[(E)-2-phenylethenyl]-2-(2-phenylethynyl)pyrrolidin-1-yl]phenyl]methanol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C3CCC[C@@H]3CC2=O

DOS

IR

Vibrations