Geometry & MOs

Info

ID:	441101
PubChem CID:	135233121
Reduced:	NO7C27H37 (1)
Stoich.:	AB7C27D37 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-302.16
Dipole, Da:	5.31
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-6-(1-methoxyethenylamino)hex-5-en-2-yl]-3-(2-methylpropanoyl)-4-nitrosopyran-2-one

Drug info:

PubChemData

Smile

CCCCCCC1=COC(=C1)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations