Geometry & MOs

Info

ID:	237956
PubChem CID:	92723102
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	5.12
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CC(=O)NC2=CN=CC=C2)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations