Geometry & MOs

Info

ID:	379147
PubChem CID:	134354930
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	340.175105
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	1.12
IP(EA), eV:	-8.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2,5-difluorophenyl)ethylideneamino]methyl]-N-[1-(3-methylphenyl)ethenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)C2=CC=CC=C2OC(=O)N3CCNCC3

DOS

IR

Vibrations