Geometry & MOs

Info

ID:	79828
PubChem CID:	49830654
Reduced:	ON3C14H16 (2)
Stoich.:	AB3C14D16 (2)
Weight, g/mol:	514.22162
ΔH_f, kcal/mol:	9.72
Dipole, Da:	4.34
IP(EA), eV:	-8.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-[3-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]pyrazol-3-yl]-2-naphthalen-1-yl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)C(=O)N(C)CCN

DOS

IR

Vibrations