Geometry & MOs

Info

ID:	79805
PubChem CID:	49830534
Reduced:	O3N6C28H38 (1)
Stoich.:	A3B6C28D38 (1)
Weight, g/mol:	448.130218
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	4.05
IP(EA), eV:	-8.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminopropoxy)-4-[4-[(6-chloro-1,3-benzoxazol-2-yl)amino]phenyl]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)OC)C

DOS

IR

Vibrations