Geometry & MOs

Info

ID:	344456
PubChem CID:	127267632
Reduced:	BrO2N6C15H19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	368.17723
ΔH_f, kcal/mol:	20.21
Dipole, Da:	4.3
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations