Geometry & MOs

Info

ID:	60659
PubChem CID:	26697360
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	327.174691
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	6.14
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopentyl-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)OC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations