Geometry & MOs

Info

ID:	188047
PubChem CID:	77660859
Reduced:	ClN3O3C16H24 (1)
Stoich.:	AB3C3D16E24 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	6.22
IP(EA), eV:	-8.93(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC1C(NNC1OC2=CC(=CC=C2)Cl)C(C(C)C)OC(=O)N

DOS

IR

Vibrations