Geometry & MOs

Info

ID:	230024
PubChem CID:	87569888
Reduced:	ON3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	163.064471
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	2.42
IP(EA), eV:	-8.29(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-fluoro-4-hydroxy-2-methylbut-2-enyl]carbamic acid

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=C(N2C)C3CCCCN3C=O

DOS

IR

Vibrations