Geometry & MOs

Info

ID:	29130
PubChem CID:	831786
Reduced:	BrO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	1.1
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4,6-trimethylphenyl)methylideneamino]-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)N2CCOCC2)C)Br

DOS

IR

Vibrations