Geometry & MOs

Info

ID:	196791
PubChem CID:	78878686
Reduced:	SN3O5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	385.191403
ΔH_f, kcal/mol:	-140.73
Dipole, Da:	6.48
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenoxy)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O

DOS

IR

Vibrations