Geometry & MOs

Info

ID:	422689
PubChem CID:	135118250
Reduced:	NO5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-235.98
Dipole, Da:	4.64
IP(EA), eV:	-8.88(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-4-cyclopropyl-N-(2-ethoxyethyl)-3-(4-methoxyphenyl)-N-methyl-5-oxomorpholine-2-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CN2CCC3(CC2)C[C@]([C@H](CO3)O)(C)O)CO

DOS

IR

Vibrations