Geometry & MOs

Info

ID:	227812
PubChem CID:	87562558
Reduced:	NO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	327.277344
ΔH_f, kcal/mol:	22.12
Dipole, Da:	3.66
IP(EA), eV:	-9.28(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CC(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C=O

DOS

IR

Vibrations