Geometry & MOs

Info

ID:	386731
PubChem CID:	134982714
Reduced:	IH17C18 (1)
Stoich.:	AB17C18 (1)
Weight, g/mol:	439.170292
ΔH_f, kcal/mol:	63.67
Dipole, Da:	1.94
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-chloro-4-(dibenzylamino)phenyl]-3-phenylpropanal

Drug info:

PubChemData

Smile

CCCC1C2=CC=CC=C2C(=C1C3=CC=CC=C3)I

DOS

IR

Vibrations