Geometry & MOs

Info

ID:	155309
PubChem CID:	56352895
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	401.071324
ΔH_f, kcal/mol:	-76.23
Dipole, Da:	3.1
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1CC(=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations