Geometry & MOs

Info

ID:	136240
PubChem CID:	52005492
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-5.84
Dipole, Da:	7.99
IP(EA), eV:	-8.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropanoylamino)-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CNC(=O)C3=NN4C=CC=CC4=C3

DOS

IR

Vibrations