Geometry & MOs

Info

ID:	148611
PubChem CID:	53788279
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	163.003445
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	3.76
IP(EA), eV:	-9.84(1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(hydroxymethyl)-5-methyl-1-oxo-2-oxa-5-aza-1lambda5-phosphabicyclo[2.1.0]pentan-3-one

Drug info:

PubChemData

Smile

COCC1(CCCCC1)CO

DOS

IR

Vibrations