Geometry & MOs

Info

ID:	124536
PubChem CID:	50887153
Reduced:	BrN3O5H16C25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	18.79
Dipole, Da:	7.79
IP(EA), eV:	-9.63(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-diethylphenyl)methylideneamino]aniline

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)CC4=CC=CC=C4)C#N

DOS

IR

Vibrations