Geometry & MOs

Info

ID:	438249
PubChem CID:	135227976
Reduced:	FN6H23C25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	239.03096
ΔH_f, kcal/mol:	100.69
Dipole, Da:	8.27
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,6-dimethylphenyl)propan-1-imine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)F)N3C(=NC4=C3C=C(C=N4)C5=C(N=NN5C)C)C

DOS

IR

Vibrations