Geometry & MOs

Info

ID:	441140
PubChem CID:	135233280
Reduced:	NF3O6C29H36 (1)
Stoich.:	AB3C6D29E36 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-432.81
Dipole, Da:	8.15
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-6-(but-1-en-2-ylamino)hex-5-en-2-yl]-3-(3-methylbut-1-en-2-yl)pyran-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCC(F)(F)F)C[C@H](C)C(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations