Geometry & MOs

Info

ID:	427872
PubChem CID:	135164766
Reduced:	BrClO2N4C24H28 (1)
Stoich.:	ABC2D4E24F28 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	2.06
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methylpropoxy)-5-[(E)-2-pyridin-3-ylethenyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=CC(=C2)OCC3=C(C=C(C=C3)Cl)Br)OCCC4=CN=CN4

DOS

IR

Vibrations