Geometry & MOs

Info

ID:	77479
PubChem CID:	49646093
Reduced:	F2O2N4H18C21 (1)
Stoich.:	A2B2C4D18E21 (1)
Weight, g/mol:	386.119047
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	3.82
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-N'-(3-methoxyphenyl)oxamide

Drug info:

PubChemData

Smile

C=CCN(C1=CC=CC=C1)C(=O)C(=O)NCC2=CN(N=C2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations