Geometry & MOs

Info

ID:	268327
PubChem CID:	103598934
Reduced:	FN2O2H19C21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	304.132411
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	7.48
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-imidazol-1-ylphenyl)methyl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)N(CC=C)CC2=CC(=CC=C2)C#N)F

DOS

IR

Vibrations