Geometry & MOs

Info

ID:	434409
PubChem CID:	135174890
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	440.23246
ΔH_f, kcal/mol:	43.15
Dipole, Da:	7.0
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[4-(2-pyridin-4-ylethoxy)-6-[(pyrrolidin-3-ylmethylamino)methyl]pyridin-2-yl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)CNCC2CNC2)OCC3=CC(=CN=C3)C#N

DOS

IR

Vibrations