Geometry & MOs

Info

ID:	47777
PubChem CID:	10535228
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-178.35
Dipole, Da:	2.67
IP(EA), eV:	-10.1(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)COCCO

DOS

IR

Vibrations