Geometry & MOs

Info

ID:	281075
PubChem CID:	103852792
Reduced:	ON2F3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-171.87
Dipole, Da:	3.07
IP(EA), eV:	-9.59(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C(F)(F)F)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations