Geometry & MOs

Info

ID:	392873
PubChem CID:	135018281
Reduced:	C15H26 (1)
Stoich.:	A15B26 (1)
Weight, g/mol:	174.064057
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	0.13
IP(EA), eV:	-9.96(3.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-[(5R)-2-imino-5H-1,3-oxazol-5-yl]propane-1,2,3-triol

Drug info:

PubChemData

Smile

CC1CCC2(C13CCCC3C(C2)(C)C)C

DOS

IR

Vibrations