Geometry & MOs

Info

ID:	401731
PubChem CID:	135052304
Reduced:	ClN3H14C19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	102.91
Dipole, Da:	6.26
IP(EA), eV:	-8.37(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methoxyphenyl)-2-[(5-methylpyridin-2-yl)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(N=C(N12)C3=CC=CC=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations