Geometry & MOs

Info

ID:	434058
PubChem CID:	135174214
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	425.221561
ΔH_f, kcal/mol:	3.21
Dipole, Da:	1.38
IP(EA), eV:	-8.89(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[3-(pyridin-2-ylmethoxy)-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CNCCC1CNCC2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations