Geometry & MOs

Info

ID:	138421
PubChem CID:	52365178
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	341.190341
ΔH_f, kcal/mol:	-35.53
Dipole, Da:	6.23
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C(=O)[C@@H]3CCC=CC3

DOS

IR

Vibrations