Geometry & MOs

Info

ID:	126626
PubChem CID:	50970643
Reduced:	N7C20H23 (1)
Stoich.:	A7B20C23 (1)
Weight, g/mol:	371.199762
ΔH_f, kcal/mol:	120.22
Dipole, Da:	5.67
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-2-pyridin-4-ylpyridine

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)C2=C(N=CN2CCC3=C(NN=C3C)C)C4=CC=CC=C4

DOS

IR

Vibrations