Geometry & MOs

Info

ID:	380401
PubChem CID:	134970843
Reduced:	NO2H29C30 (1)
Stoich.:	AB2C29D30 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	22.63
Dipole, Da:	2.32
IP(EA), eV:	-8.17(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CN1C2=CC=CC=C2C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations