Geometry & MOs

Info

ID:	214586
PubChem CID:	85083235
Reduced:	N3O5C33H35 (1)
Stoich.:	A3B5C33D35 (1)
Weight, g/mol:	553.282823
ΔH_f, kcal/mol:	-123.73
Dipole, Da:	8.69
IP(EA), eV:	-9.17(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylamino)-3-[2,2-dimethyl-5-(trityloxymethyl)-1,3-dioxolan-4-yl]propane-1,2-diol

Drug info:

PubChemData

Smile

CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C=NOC67CC8CC(C6)CC(C8)C7)CO

DOS

IR

Vibrations