Geometry & MOs

Info

ID:	427922
PubChem CID:	135165482
Reduced:	Cl2O3N8C31H34 (1)
Stoich.:	A2B3C8D31E34 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	5.82
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazol-2-yl)phenyl]-N,2-dimethylaniline

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CCO)Cl

DOS

IR

Vibrations