Geometry & MOs

Info

ID:	363324
PubChem CID:	127310836
Reduced:	SO2N7C16H19 (1)
Stoich.:	AB2C7D16E19 (1)
Weight, g/mol:	398.186652
ΔH_f, kcal/mol:	59.81
Dipole, Da:	5.72
IP(EA), eV:	-9.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations