Geometry & MOs

Info

ID:	427874
PubChem CID:	135164828
Reduced:	OSN3C23H31 (1)
Stoich.:	ABC3D23E31 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	24.52
Dipole, Da:	4.17
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-[3-(2-methylpropoxy)-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]ethenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)/C=C/C2=CC(=CC(=C2)CNCC3CCNC3)OCC=C

DOS

IR

Vibrations