Geometry & MOs

Info

ID:	268293
PubChem CID:	103598773
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	1.79
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(3-pyridin-4-ylprop-2-enoylamino)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NNC(=O)NC)C1=CC=C(C=C1)F

DOS

IR

Vibrations