Geometry & MOs

Info

ID:	135815
PubChem CID:	51940065
Reduced:	OS2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	41.48
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949297
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C[NH+](C)C)C

DOS

IR

Vibrations