Geometry & MOs

Info

ID:	397734
PubChem CID:	135030645
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	445.074868
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	7.31
IP(EA), eV:	-8.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-N-[(E)-[5-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]methylideneamino]-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

C1C[C@@H](C(C1)NC(=O)C2CCN(CC2)C3=NC4=C(O3)C=CC(=C4)Cl)OCC5=CC=CC=C5

DOS

IR

Vibrations