Geometry & MOs

Info

ID:	425300
PubChem CID:	135125866
Reduced:	NPO5C9H16 (1)
Stoich.:	ABC5D9E16 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-289.41
Dipole, Da:	8.22
IP(EA), eV:	-9.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(3-oxopropoxy)ethoxy]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CO)N.OP(=O)(O)O

DOS

IR

Vibrations