Geometry & MOs

Info

ID:	413687
PubChem CID:	135086636
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	2.34
IP(EA), eV:	-8.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-5-hydroxy-6-prop-2-enoxyhex-2-ynoate

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2C(=O)C1=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations