Geometry & MOs

Info

ID:	413211
PubChem CID:	135086157
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-130.5
Dipole, Da:	2.91
IP(EA), eV:	-9.25(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3R)-1,2-dihydroxy-6-phenylhexan-3-yl]carbamate

Drug info:

PubChemData

Smile

CO[C@H](CCCC1=CC=CC=C1)[C@H](CO)O

DOS

IR

Vibrations