Geometry & MOs

Info

ID:	394219
PubChem CID:	135022551
Reduced:	N5F6C45H45 (1)
Stoich.:	A5B6C45D45 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-177.25
Dipole, Da:	9.43
IP(EA), eV:	-8.21(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(3-cyanopyridin-4-yl)-3-(dimethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCN1C=CC=C1/C=C/C2=CN=C(C3=C2N=C(C(=N3)C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F)/C=C/C6=CC=CN6CCCCCC

DOS

IR

Vibrations