Geometry & MOs

Info

ID:	157631
PubChem CID:	56436183
Reduced:	Cl2O2N5C18H19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	413.132174
ΔH_f, kcal/mol:	7.45
Dipole, Da:	6.91
IP(EA), eV:	-9.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCCCC2=NC(=NO2)C)Cl)CC3=CC=CC=C3Cl

DOS

IR

Vibrations