Geometry & MOs

Info

ID:	402928
PubChem CID:	135057898
Reduced:	NPO9C14H20 (1)
Stoich.:	ABC9D14E20 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-435.4
Dipole, Da:	4.6
IP(EA), eV:	-9.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-2-oxooctan-4-yl] formate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations