Geometry & MOs

Info

ID:	398463
PubChem CID:	135033383
Reduced:	NO15C48H51 (1)
Stoich.:	AB15C48D51 (1)
Weight, g/mol:	353.177964
ΔH_f, kcal/mol:	-528.37
Dipole, Da:	5.2
IP(EA), eV:	-9.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-phenyl-1-(2-phenylphenyl)prop-2-ynyl]morpholine

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@@H](C([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N6C(=O)C7=CC=CC=C7C6=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations