Geometry & MOs

Info

ID:	243103
PubChem CID:	99215632
Reduced:	OSN4H22C23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	58.23
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(4-methoxyphenyl)pentanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C[C@@H](C1=CC=CC=C1)NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

DOS

IR

Vibrations