Geometry & MOs

Info

ID:	411086
PubChem CID:	135083896
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	2.97
IP(EA), eV:	-9.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-1-oxohex-5-en-2-yl]formamide

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=C(O1)C)O

DOS

IR

Vibrations