Geometry & MOs

Info

ID:	283699
PubChem CID:	103999176
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	303.067762
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	5.83
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)C2=CC3=C(CNC3)C=C2)CC

DOS

IR

Vibrations