Geometry & MOs

Info

ID:	439268
PubChem CID:	135229035
Reduced:	NC3H3 (5)
Stoich.:	AB3C3 (5)
Weight, g/mol:	538.196468
ΔH_f, kcal/mol:	75.14
Dipole, Da:	2.65
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[4-[4-[[2-(4-methylphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxypyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)CCC3=CN=C(N=C3N)N

DOS

IR

Vibrations