Geometry & MOs

Info

ID:	125193
PubChem CID:	50914513
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-24.48
Dipole, Da:	1.72
IP(EA), eV:	-8.59(-0.48)
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-propan-2-ylphenoxy)pyridin-1-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=NN(C=C1)C)N2C=CC(=CC2=O)OC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations