Geometry & MOs

Info

ID:	125192
PubChem CID:	50914512
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	9.96
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(2-phenylphenoxy)pyridin-1-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=NN(C=C1)C)N2C=CC(=CC2=O)OC3=CN=CC=C3

DOS

IR

Vibrations