Geometry & MOs

Info

ID:	128873
PubChem CID:	51061634
Reduced:	Cl2O2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	416.10994
ΔH_f, kcal/mol:	-20.11
Dipole, Da:	5.2
IP(EA), eV:	-8.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-tert-butylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations