Geometry & MOs

Info

ID:	71089
PubChem CID:	48414275
Reduced:	OF2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	402.03275
ΔH_f, kcal/mol:	-51.2
Dipole, Da:	2.16
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2C)C3=C(C=C(C=C3)F)F)C

DOS

IR

Vibrations