Geometry & MOs

Info

ID:	283702
PubChem CID:	103999716
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	4.19
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CN(C)C(=O)N1CC2=C(C1)C=C(C=C2)C(=O)O

DOS

IR

Vibrations