Geometry & MOs

Info

ID:	44311
PubChem CID:	10502657
Reduced:	OC7H7 (4)
Stoich.:	AB7C7 (4)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	2.32
IP(EA), eV:	-9.4(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-N-[[(1S)-1-phenylethyl]carbamoyl]prop-2-enamide

Drug info:

PubChemData

Smile

C#C[C@@H]1[C@H]([C@@H]([C@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations