Geometry & MOs

Info

ID:	145890
PubChem CID:	53608228
Reduced:	ClO2N4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-18.87
Dipole, Da:	9.83
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-N-[2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)Cl)NC(=O)C2=NNC(=C2)C3CC3

DOS

IR

Vibrations