Geometry & MOs

Info

ID:	30342
PubChem CID:	841168
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	306.112819
ΔH_f, kcal/mol:	22.04
Dipole, Da:	7.13
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)NC2=CC=CC=C2)Br

DOS

IR

Vibrations