Geometry & MOs

Info

ID:	70882
PubChem CID:	48413994
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	309.01129
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	7.11
IP(EA), eV:	-8.61(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations