Geometry & MOs

Info

ID:	47979
PubChem CID:	10536115
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	202.156895
ΔH_f, kcal/mol:	-4.98
Dipole, Da:	1.29
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R)-5-hydroxy-4-methylheptan-3-yl] propanoate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=NC(C)C)O1

DOS

IR

Vibrations