Geometry & MOs

Info

ID:	438658
PubChem CID:	135228407
Reduced:	O3N5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	2.74
IP(EA), eV:	-8.44(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroisoindol-2-yl-(2-hydroxy-5-propan-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

CCCC(C)C(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC

DOS

IR

Vibrations