Geometry & MOs

Info

ID:	238626
PubChem CID:	92763436
Reduced:	N2O3C29H38 (1)
Stoich.:	A2B3C29D38 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	3.48
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2,3-dimorpholin-4-yl-3-phenyl-1-(4-propoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)C(=O)[C@H]([C@@H](C3=CC=CC=C3)N4CCOCC4)N5CCOCC5

DOS

IR

Vibrations