Geometry & MOs

Info

ID:	71091
PubChem CID:	48414277
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	416.0484
ΔH_f, kcal/mol:	-18.08
Dipole, Da:	6.88
IP(EA), eV:	-9.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations