Geometry & MOs

Info

ID:	136078
PubChem CID:	51975284
Reduced:	N2O4C29H35 (1)
Stoich.:	A2B4C29D35 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111575
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,2-diphenylethoxy)-3-[(3S)-3-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@H](COCC(C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations