Geometry & MOs

Info

ID:	125191
PubChem CID:	50914272
Reduced:	SN5O7C43H57 (1)
Stoich.:	AB5C7D43E57 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-250.26
Dipole, Da:	4.28
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1-methylpyrazol-3-yl)-2-(2-oxo-4-pyridin-3-yloxypyridin-1-yl)pentanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCOCCC4=CC(=CC=C4)CN5CCC6(CC5)CN(CCO6)C(=O)C7=CC=CS7

DOS

IR

Vibrations