Geometry & MOs

Info

ID:	320434
PubChem CID:	126660953
Reduced:	N4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	64.75
Dipole, Da:	1.48
IP(EA), eV:	-7.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-cyano-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C2=CN(C(=C)C(=N2)N3CCCCC3)C(=NC)C

DOS

IR

Vibrations