Geometry & MOs

Info

ID:	157630
PubChem CID:	56436181
Reduced:	FO2N6H23C26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	407.09158
ΔH_f, kcal/mol:	41.08
Dipole, Da:	3.92
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=NC3=C2C=NN3CC4=CC(=CC=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations