Geometry & MOs

Info

ID:	314067
PubChem CID:	126620251
Reduced:	ClN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	483.192484
ΔH_f, kcal/mol:	36.42
Dipole, Da:	2.05
IP(EA), eV:	-8.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-methylphenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(C)C2=NC(=NC(=C2Cl)N)C

DOS

IR

Vibrations