Geometry & MOs

Info

ID:	445355
PubChem CID:	135266437
Reduced:	FON4C30H31 (1)
Stoich.:	ABC4D30E31 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	38.54
Dipole, Da:	1.97
IP(EA), eV:	-7.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[4-(ethenyliminomethyl)-3-methylphenyl]-2-(4-phenacyloxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C2=CC=C(C=C2)F)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=CNC=C5)C(=C)O

DOS

IR

Vibrations