Geometry & MOs

Info

ID:	138420
PubChem CID:	52365177
Reduced:	ClO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	341.190341
ΔH_f, kcal/mol:	1.84
Dipole, Da:	6.76
IP(EA), eV:	-9.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC(CC1)C2=NC3=C(O2)C=CC(=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations