Geometry & MOs

Info

ID:	147390
PubChem CID:	53787046
Reduced:	N3O6C15H19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	417.266779
ΔH_f, kcal/mol:	-192.92
Dipole, Da:	5.41
IP(EA), eV:	-9.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(diethylamino)butoxy]phenyl]-1,2-diphenylethanol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)OC(C)C)C#C)O)O

DOS

IR

Vibrations