Geometry & MOs

Info

ID:	386545
PubChem CID:	134982086
Reduced:	ClOH7C14 (2)
Stoich.:	ABC7D14 (2)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	66.72
Dipole, Da:	2.6
IP(EA), eV:	-9.15(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C3C4=C5C6=C(C=CC1=C63)C=C(C5=C(C=C4C=C2)Cl)Cl)C7=CC=CC=C7

DOS

IR

Vibrations