Geometry & MOs

Info

ID:	138540
PubChem CID:	52382151
Reduced:	NOH13C14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	350.1617
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	3.68
IP(EA), eV:	-8.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-(2,5-dimethylphenoxy)-N-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2[C@@]3(C1=O)C4=C(CC(CC4=O)(C)C)C5=C(N3)C=CC6=CC=CC=C65

DOS

IR

Vibrations