Geometry & MOs

Info

ID:	227813
PubChem CID:	87562560
Reduced:	NO3C19H37 (1)
Stoich.:	AB3C19D37 (1)
Weight, g/mol:	327.277344
ΔH_f, kcal/mol:	-197.44
Dipole, Da:	6.98
IP(EA), eV:	-10.12(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3S)-3-hydroxyoctadec-4-en-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@H]([C@H](C)NC(=O)O)O

DOS

IR

Vibrations