Geometry & MOs

Info

ID:	71014
PubChem CID:	48414180
Reduced:	BrO3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	391.096666
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	5.04
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br

DOS

IR

Vibrations