Geometry & MOs

Info

ID:	41456
PubChem CID:	8145916
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	408.04734
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	5.16
IP(EA), eV:	-8.76(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Cl)C(=O)C4=O

DOS

IR

Vibrations