Geometry & MOs

Info

ID:	434003
PubChem CID:	135174153
Reduced:	BrON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	385.176582
ΔH_f, kcal/mol:	8.46
Dipole, Da:	3.9
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[3-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]ethenyl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=C(C=C2)OCC3=CC=CC=C3Br

DOS

IR

Vibrations